Diphenyleneiodonium
PubChem CID: 3101
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| Compound Synonyms | Diphenyleneiodonium, Dibenziodolium, 244-54-2, Diphenylene iodonium, 2,2'-Biphenylyleneiodonium, dibenzo[b,d]iodolium, (1,1'-Biphenyl)-2,2'-diyliodonium, Dibenzo[b,d]iodol-5-ium, diphenyl-iodonium hydrochloride, CHEBI:77986, 6HJ411TU98, 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene, CHEMBL397686, UNII-6HJ411TU98, Tocris-0504, 1010-76-0, Lopac-D-2926, Lopac0_000367, BSPBio_001027, KBioGR_000367, KBioSS_000367, SCHEMBL219548, CHEMBL365739, KBio2_000367, KBio2_002935, KBio2_005503, KBio3_000713, KBio3_000714, QFXKXRXFBRLLPQ-UHFFFAOYSA-, DTXSID00924595, Bio1_000428, Bio1_000917, Bio1_001406, Bio2_000344, Bio2_000824, HMS1362C09, HMS1792C09, HMS1990C09, HMS3403C09, BDBM50206334, CCG-204462, IDI1_002099, QTL1_000031, NCGC00015334-01, NCGC00015334-02, NCGC00015334-03, NCGC00015334-04, NCGC00015334-05, NCGC00015334-06, NCGC00015334-07, NCGC00015334-09, NCGC00015334-13, NCGC00024620-01, NCGC00024620-02, NCGC00024620-03, NCGC00024620-04, NS00015673, BRD-K65814004-001-02-3, BRD-K65814004-003-01-1, BRD-K65814004-003-02-9, Q27147567, InChI=1/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q03164, P51151, Q16637, P16473, P42345, P33261, P51450, P00352, P28482, P15917, P42226, O15118, P08482, P40225, P04637, P08684, P10635, P11712, Q96QE3, Q16236, O89049, Q96KQ7, O15296, Q13951, P39748, P05177, Q99700, P49798, Q9NUW8, P0DTD1 |
| Iupac Name | 8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene |
| Prediction Hob | 1.0 |
| Target Id | NPT537, NPT93, NPT210, NPT940, NPT213, NPT94, NPT282, NPT1620, NPT538, NPT96, NPT539, NPT109, NPT110, NPT212, NPT208 |
| Xlogp | 4.1 |
| Molecular Formula | C12H8I+ |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFXKXRXFBRLLPQ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.222 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.995 |
| Compound Name | Diphenyleneiodonium |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.967 |
| Formal Charge | 1.0 |
| Monoisotopic Mass | 278.967 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 279.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8049969230769225 |
| Inchi | InChI=1S/C12H8I/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H/q+1 |
| Smiles | C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ixora Coccinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all