5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)

C82H68Ir2N4- — CID 157240153

IUPAC5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)
SMILESC[C@@H]1CC(c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)C[C@@H](C)C1.[Ir+3].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)CC(c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)C2)cn1
InChIInChI=1S/C57H42N3.C25H26N.2Ir/c1-4-16-40(17-5-1)55-31-28-43(37-58-55)49-22-10-13-25-52(49)46-34-47(53-26-14-11-23-50(53)44-29-32-56(59-38-44)41-18-6-2-7-19-41)36-48(35-46)54-27-15-12-24-51(54)45-30-33-57(60-39-45)42-20-8-3-9-21-42;1-18-14-19(2)16-22(15-18)24-11-7-6-10-23(24)21-12-13-25(26-17-21)20-8-4-3-5-9-20;;/h1-16,18,20,22-33,37-39,46-48H,34-36H2;3-8,10-13,17-19,22H,14-16H2,1-2H3;;/q-3;-1;;+3/t;18-,19-;;/m.0../s1
InChIKeyKXFZTYXYYJFEAG-YYGXOLKXSA-N
MW1493.91 g/mol
LogP20.86
Rot. Bonds12

About 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)

5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+) (PubChem CID 157240153) has the molecular formula C82H68Ir2N4- and a molecular weight of 1493.91 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+).

Molecular Properties

Compound Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)
PubChem CID157240153
Molecular FormulaC82H68Ir2N4-
Molecular Weight1493.91 g/mol
Exact Mass1494.47
IUPAC Name5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)
SMILESC[C@@H]1CC(c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)C[C@@H](C)C1.[Ir+3].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)CC(c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)C2)cn1
InChIInChI=1S/C57H42N3.C25H26N.2Ir/c1-4-16-40(17-5-1)55-31-28-43(37-58-55)49-22-10-13-25-52(49)46-34-47(53-26-14-11-23-50(53)44-29-32-56(59-38-44)41-18-6-2-7-19-41)36-48(35-46)54-27-15-12-24-51(54)45-30-33-57(60-39-45)42-20-8-3-9-21-42;1-18-14-19(2)16-22(15-18)24-11-7-6-10-23(24)21-12-13-25(26-17-21)20-8-4-3-5-9-20;;/h1-16,18,20,22-33,37-39,46-48H,34-36H2;3-8,10-13,17-19,22H,14-16H2,1-2H3;;/q-3;-1;;+3/t;18-,19-;;/m.0../s1
InChIKeyKXFZTYXYYJFEAG-YYGXOLKXSA-N
XLogP20.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001493.91
LogP ≤ 520.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+) with MolForge

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Related Compounds

5-[2-[3,5-bis[2-[6-[3-(3-phenylphenyl)benzene-6-id-1-yl]-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-[3-(3-phenylphenyl)benzene-6-id-1-yl]pyridine;iridium(3+)
CID 153439051
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-phenylpyridine;iridium(3+)
CID 140838450
5-[2-[3,5-bis[2-[6-(3-bromobenzene-6-id-1-yl)-3-pyridinyl]phenyl]cyclohexyl]phenyl]-2-(3-bromobenzene-6-id-1-yl)-4-phenylpyridine;iridium(3+)
CID 153439067
iridium;5-(2-methylphenyl)-2-phenylpyridine;2-phenylpyridine
CID 58435113
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
2,4-bis(5-methyl-2-pyridinyl)-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261624
2,4-bis[2-(4-methylphenyl)pyrimidin-5-yl]-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261700
5-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]cyclohexyl]phenyl]-2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]cyclohexyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))
CID 153448937
(2R,9S)-2,9-dimethyl-1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene-1,10-diol;iridium;5-phenyl-2-phenylpyridine
CID 170527502
CID 164805188
CID 164805188
2-[4-[2-[3,5-bis[4-tert-butyl-2-(4-phenyl-6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]benzene-2,6-diid-1-yl]-5-[2-[3-[4-tert-butyl-2-(4-phenyl-6-phenyl-3-pyridinyl)phenyl]-5-[4-tert-butyl-2-(5-phenyl-6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]pyrimidine;bis(iridium(3+))
CID 153449029
5-tert-butyl-2-(6-phenyl-3-pyridinyl)pyrimidine;iridium
CID 58261681

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)?
The IUPAC name of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+) (CID 157240153) is 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+).
What is the SMILES notation for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)?
The canonical SMILES for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+) is C[C@@H]1CC(c2ccccc2-c2ccc(-c3[c-]cccc3)nc2)C[C@@H](C)C1.[Ir+3].[Ir].[c-]1ccccc1-c1ccc(-c2ccccc2C2CC(c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)CC(c3ccccc3-c3ccc(-c4[c-]cccc4)nc3)C2)cn1.
What is the InChIKey of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)?
The InChIKey is KXFZTYXYYJFEAG-YYGXOLKXSA-N. The full InChI is InChI=1S/C57H42N3.C25H26N.2Ir/c1-4-16-40(17-5-1)55-31-28-43(37-58-55)49-22-10-13-25-52(49)46-34-47(53-26-14-11-23-50(53)44-29-32-56(59-38-44)41-18-6-2-7-19-41)36-48(35-46)54-27-15-12-24-51(54)45-30-33-57(60-39-45)42-20-8-3-9-21-42;1-18-14-19(2)16-22(15-18)24-11-7-6-10-23(24)21-12-13-25(26-17-21)20-8-4-3-5-9-20;;/h1-16,18,20,22-33,37-39,46-48H,34-36H2;3-8,10-13,17-19,22H,14-16H2,1-2H3;;/q-3;-1;;+3/t;18-,19-;;/m.0../s1.
What are the key properties of 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+)?
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+) has a molecular weight of 1493.91 g/mol, XLogP of 20.86, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]cyclohexyl]phenyl]-2-phenylpyridine;5-[2-[(3S,5R)-3,5-dimethylcyclohexyl]phenyl]-2-phenylpyridine;iridium;iridium(3+) is sourced from PubChem (CID 157240153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).