16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium

C149H131IrN10O2Pt2+2 — CID 160965063

About 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium

16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 160965063) has the molecular formula C149H131IrN10O2Pt2+2 and a molecular weight of 2676.13 g/mol. Its IUPAC name is 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

• Compound Name: 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium
• PubChem CID: 160965063
• Molecular Formula: C149H131IrN10O2Pt2+2
• Molecular Weight: 2676.13 g/mol
• Exact Mass: 2674.94
• IUPAC Name: 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium
• SMILES: CC(=O)C=C(C)O.CC1(C)C2Cc3cc4[n+](cc3C1C2)Cc1cc2c(cc1-4)CCCC2.[Ir+3].[Pt+2].[Pt].[c-]1ccccc1-c1ccc(CCc2cc(CCc3ccc(-c4[c-]cccc4)nc3)cc(CCc3ccc(-c4[c-]cccc4)nc3)c2)cn1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1nccc2ccccc12.c1c2c(cc3c1C[n+]1cc4c(cc1-3)C1CCC4C1)CCCC2.c1ccc2c(c1)C[n+]1ccccc1-2
• InChI: InChI=1S/C45H36N3.C28H19N3.C23H26N.C21H22N.C15H10N.C12H10N.C5H8O2.Ir.2Pt/c1-4-10-40(11-5-1)43-25-22-34(31-46-43)16-19-37-28-38(20-17-35-23-26-44(47-32-35)41-12-6-2-7-13-41)30-39(29-37)21-18-36-24-27-45(48-33-36)42-14-8-3-9-15-42;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;1-23(2)18-8-16-10-22-19-9-15-6-4-3-5-14(15)7-17(19)12-24(22)13-20(16)21(23)11-18;1-2-4-14-9-19-17(7-13(14)3-1)11-22-12-20-16-6-5-15(8-16)18(20)10-21(19)22;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-4(6)3-5(2)7;;;/h1-10,12,14,22-33H,16-21H2;1-12,14,16-21H;7,9-10,13,18,21H,3-6,8,11-12H2,1-2H3;7,9-10,12,15-16H,1-6,8,11H2;1-7,9-11H;1-8H,9H2;3,6H,1-2H3;;;/q-3;-2;2*+1;-1;+1;;+3;;+2
• InChIKey: FIMYGLQZAJELQX-UHFFFAOYSA-N
• XLogP: 32.06
• TPSA: 129.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 19
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2676.13
LogP ≤ 5	32.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium?

The IUPAC name of 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium (CID 160965063) is 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium.

What is the SMILES notation for 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium?

The canonical SMILES for 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium is CC(=O)C=C(C)O.CC1(C)C2Cc3cc4[n+](cc3C1C2)Cc1cc2c(cc1-4)CCCC2.[Ir+3].[Pt+2].[Pt].[c-]1ccccc1-c1ccc(CCc2cc(CCc3ccc(-c4[c-]cccc4)nc3)cc(CCc3ccc(-c4[c-]cccc4)nc3)c2)cn1.[c-]1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3[c-]cccc3)n2)n1.[c-]1ccccc1-c1nccc2ccccc12.c1c2c(cc3c1C[n+]1cc4c(cc1-3)C1CCC4C1)CCCC2.c1ccc2c(c1)C[n+]1ccccc1-2.

What is the InChIKey of 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium?

The InChIKey is FIMYGLQZAJELQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N3.C28H19N3.C23H26N.C21H22N.C15H10N.C12H10N.C5H8O2.Ir.2Pt/c1-4-10-40(11-5-1)43-25-22-34(31-46-43)16-19-37-28-38(20-17-35-23-26-44(47-32-35)41-12-6-2-7-13-41)30-39(29-37)21-18-36-24-27-45(48-33-36)42-14-8-3-9-15-42;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;1-23(2)18-8-16-10-22-19-9-15-6-4-3-5-14(15)7-17(19)12-24(22)13-20(16)21(23)11-18;1-2-4-14-9-19-17(7-13(14)3-1)11-22-12-20-16-6-5-15(8-16)18(20)10-21(19)22;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-11-10(5-1)9-13-8-4-3-7-12(11)13;1-4(6)3-5(2)7;;;/h1-10,12,14,22-33H,16-21H2;1-12,14,16-21H;7,9-10,13,18,21H,3-6,8,11-12H2,1-2H3;7,9-10,12,15-16H,1-6,8,11H2;1-7,9-11H;1-8H,9H2;3,6H,1-2H3;;;/q-3;-2;2*+1;-1;+1;;+3;;+2.

What are the key properties of 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium?

16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 2676.13 g/mol, XLogP of 32.06, 19 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)ethyl]phenyl]ethyl]-2-phenylpyridine;21,21-dimethyl-4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-hexaene;4-hydroxypent-3-en-2-one;iridium(3+);1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 160965063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).