10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine

C144H123Ir2N13O3 — CID 160591053

About 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine

10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine (PubChem CID 160591053) has the molecular formula C144H123Ir2N13O3 and a molecular weight of 2476.14 g/mol. Its IUPAC name is 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine.

Molecular Properties

• Compound Name: 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine
• PubChem CID: 160591053
• Molecular Formula: C144H123Ir2N13O3
• Molecular Weight: 2476.14 g/mol
• Exact Mass: 2475.96
• IUPAC Name: 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine
• SMILES: C1=CC2=CN3c4ccccc4CC3N2C=C1.C=C1Oc2ccccc2[C-]=C1c1ccccn1.CC(=O)C=C(C)O.CC(C)/N=N/c1c2c3c(cccc3c3ccccc13)CN2.CC(C)c1cccc(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.[2H]c1c([2H])c([2H])c2c(c1[2H])C[n+]1c([2H])c([2H])c([2H])c([2H])c1-2.[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)C[n+]1ccn(-c3cccc4ccccc34)c1-2
• InChI: InChI=1S/C27H18N.C22H25N2.C20H15N2.C18H17N3.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.2Ir/c1-4-10-20(11-5-1)23-16-17-26-25(18-23)24(21-12-6-2-7-13-21)19-27(28-26)22-14-8-3-9-15-22;1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24;1-3-9-17-15(6-1)8-5-11-19(17)22-13-12-21-14-16-7-2-4-10-18(16)20(21)22;1-11(2)20-21-17-15-8-4-3-7-13(15)14-9-5-6-12-10-19-18(17)16(12)14;1-11-13(14-7-4-5-9-16-14)10-12-6-2-3-8-15(12)17-11;1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;/h1-14,16-19H;5-13,15-16H,14H2,1-4H3;1-13H,14H2;3-9,11,19H,10H2,1-2H3;2-9H,1H2;1-8,10,14H,9H2;1-8H,9H2;1-6,8-9H;3,6H,1-2H3;;/q-1;2*+1;;-1;;+1;-1;;;/b;;;21-20+;;;;;;;/i;;;;;;1D,2D,3D,4D,5D,6D,7D,8D
• InChIKey: UVNFQMLBTBPDBC-ZMHKBEKISA-N
• XLogP: 32.86
• TPSA: 149.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2476.14
LogP ≤ 5	32.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

The IUPAC name of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine (CID 160591053) is 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine.

What is the SMILES notation for 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

The canonical SMILES for 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine is C1=CC2=CN3c4ccccc4CC3N2C=C1.C=C1Oc2ccccc2[C-]=C1c1ccccn1.CC(=O)C=C(C)O.CC(C)/N=N/c1c2c3c(cccc3c3ccccc13)CN2.CC(C)c1cccc(C(C)C)c1-n1cc[n+]2c1-c1ccccc1C2.[2H]c1c([2H])c([2H])c2c(c1[2H])C[n+]1c([2H])c([2H])c([2H])c([2H])c1-2.[Ir].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)c2cc(-c3ccccc3)ccc2n1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)C[n+]1ccn(-c3cccc4ccccc34)c1-2.

What is the InChIKey of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

The InChIKey is UVNFQMLBTBPDBC-ZMHKBEKISA-N. The full InChI is InChI=1S/C27H18N.C22H25N2.C20H15N2.C18H17N3.C15H10NO.C14H12N2.C12H10N.C11H8N.C5H8O2.2Ir/c1-4-10-20(11-5-1)23-16-17-26-25(18-23)24(21-12-6-2-7-13-21)19-27(28-26)22-14-8-3-9-15-22;1-15(2)18-10-7-11-19(16(3)4)21(18)24-13-12-23-14-17-8-5-6-9-20(17)22(23)24;1-3-9-17-15(6-1)8-5-11-19(17)22-13-12-21-14-16-7-2-4-10-18(16)20(21)22;1-11(2)20-21-17-15-8-4-3-7-13(15)14-9-5-6-12-10-19-18(17)16(12)14;1-11-13(14-7-4-5-9-16-14)10-12-6-2-3-8-15(12)17-11;1-2-7-13-11(5-1)9-14-15-8-4-3-6-12(15)10-16(13)14;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-4(6)3-5(2)7;;/h1-14,16-19H;5-13,15-16H,14H2,1-4H3;1-13H,14H2;3-9,11,19H,10H2,1-2H3;2-9H,1H2;1-8,10,14H,9H2;1-8H,9H2;1-6,8-9H;3,6H,1-2H3;;/q-1;2*+1;;-1;;+1;-1;;;/b;;;21-20+;;;;;;;/i;;;;;;1D,2D,3D,4D,5D,6D,7D,8D;;;;.

What are the key properties of 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine?

10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine has a molecular weight of 2476.14 g/mol, XLogP of 32.86, 12 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-8-yl(propan-2-yl)diazene;1,10-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2,4,6,11,13,15-hexaene;4,6-diphenyl-2-phenylquinoline;1-[2,6-di(propan-2-yl)phenyl]-5H-imidazo[2,1-a]isoindol-4-ium;4-hydroxypent-3-en-2-one;bis(iridium);2-(2-methylidene-4H-chromen-4-id-3-yl)pyridine;1-naphthalen-1-yl-5H-imidazo[2,1-a]isoindol-4-ium;1,2,3,4,7,8,9,10-octadeuterio-6H-pyrido[2,1-a]isoindol-5-ium;2-phenylpyridine is sourced from PubChem (CID 160591053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).