10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

C187H157Ir6N13Pt-10 — CID 157457612

About 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene

10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (PubChem CID 157457612) has the molecular formula C187H157Ir6N13Pt-10 and a molecular weight of 3934.78 g/mol. Its IUPAC name is 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

Molecular Properties

• Compound Name: 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
• PubChem CID: 157457612
• Molecular Formula: C187H157Ir6N13Pt-10
• Molecular Weight: 3934.78 g/mol
• Exact Mass: 3937.02
• IUPAC Name: 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
• SMILES: CC(C)Cc1cccc(-c2[c-]cccc2)n1.CC1(C)C2Cc3cc(-c4[c-]cc5c(c4)CCCC5)ncc3C1C2.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1cc2c(cc1-c1cc3c(cn1)C1CCC3C1)CCCC2.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(CCc2ccc(CCc3cc[c-]c(-[n+]4[c-]cccc4)c3)cc2CCc2ccc(-c3[c-]cccc3)nc2)cn1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
• InChI: InChI=1S/C45H36N3.C28H19N3.C22H24N.C20H20N.C18H14N.C17H12N.C15H16N.2C11H8N.6Ir.Pt/c1-4-12-40(13-5-1)44-27-22-37(33-46-44)20-25-39-24-19-36(18-17-35-11-10-16-43(32-35)48-29-8-3-9-30-48)31-42(39)26-21-38-23-28-45(47-34-38)41-14-6-2-7-15-41;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-22(2)18-10-17-11-21(23-13-19(17)20(22)12-18)16-8-7-14-5-3-4-6-15(14)9-16;1-2-4-14-9-17(8-5-13(14)3-1)20-11-18-15-6-7-16(10-15)19(18)12-21-20;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h1-12,14,19,22-24,27-29,31-34H,17-18,20-21,25-26H2;1-12,14,16-21H;7,9,11,13,18,20H,3-6,10,12H2,1-2H3;5,9,11-12,15-16H,1-4,6-7,10H2;2-8,10-13H,1H3;1-9,11-13H;3-7,9-10,12H,11H2,1-2H3;2*1-6,8-9H;;;;;;;/q-3;-2;7*-1;;;;;;;+2
• InChIKey: SESVVSONIJVPJW-UHFFFAOYSA-N
• XLogP: 43.00
• TPSA: 148.91 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 28
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3934.78
LogP ≤ 5	43.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?

The IUPAC name of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene (CID 157457612) is 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene.

What is the SMILES notation for 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?

The canonical SMILES for 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is CC(C)Cc1cccc(-c2[c-]cccc2)n1.CC1(C)C2Cc3cc(-c4[c-]cc5c(c4)CCCC5)ncc3C1C2.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1cc2c(cc1-c1cc3c(cn1)C1CCC3C1)CCCC2.[c-]1ccc(-c2ccccc2)cc1-c1ccccn1.[c-]1ccccc1-c1ccc(CCc2ccc(CCc3cc[c-]c(-[n+]4[c-]cccc4)c3)cc2CCc2ccc(-c3[c-]cccc3)nc2)cn1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.

What is the InChIKey of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?

The InChIKey is SESVVSONIJVPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N3.C28H19N3.C22H24N.C20H20N.C18H14N.C17H12N.C15H16N.2C11H8N.6Ir.Pt/c1-4-12-40(13-5-1)44-27-22-37(33-46-44)20-25-39-24-19-36(18-17-35-11-10-16-43(32-35)48-29-8-3-9-30-48)31-42(39)26-21-38-23-28-45(47-34-38)41-14-6-2-7-15-41;1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;1-22(2)18-10-17-11-21(23-13-19(17)20(22)12-18)16-8-7-14-5-3-4-6-15(14)9-16;1-2-4-14-9-17(8-5-13(14)3-1)20-11-18-15-6-7-16(10-15)19(18)12-21-20;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;1-2-7-14(8-3-1)15-9-6-10-16(13-15)17-11-4-5-12-18-17;1-12(2)11-14-9-6-10-15(16-14)13-7-4-3-5-8-13;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;;;/h1-12,14,19,22-24,27-29,31-34H,17-18,20-21,25-26H2;1-12,14,16-21H;7,9,11,13,18,20H,3-6,10,12H2,1-2H3;5,9,11-12,15-16H,1-4,6-7,10H2;2-8,10-13H,1H3;1-9,11-13H;3-7,9-10,12H,11H2,1-2H3;2*1-6,8-9H;;;;;;;/q-3;-2;7*-1;;;;;;;+2.

What are the key properties of 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene?

10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene has a molecular weight of 3934.78 g/mol, XLogP of 43.00, 28 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene;hexakis(iridium);5-(2-methylphenyl)-2-phenylpyridine;2-(2-methylpropyl)-6-phenylpyridine;2-(3-phenylbenzene-6-id-1-yl)pyridine;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-[3-(2H-pyridin-1-ium-2-id-1-yl)benzene-4-id-1-yl]ethyl]phenyl]ethyl]pyridine;bis(2-phenylpyridine);platinum(2+);5-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-4-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene is sourced from PubChem (CID 157457612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).