16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium

C151H136IrN10O2Pt2+3 — CID 159129315

About 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 159129315) has the molecular formula C151H136IrN10O2Pt2+3 and a molecular weight of 2705.19 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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium
• PubChem CID: 159129315
• Molecular Formula: C151H136IrN10O2Pt2+3
• Molecular Weight: 2705.19 g/mol
• Exact Mass: 2703.98
• 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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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.[CH2-]c1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3[CH2-])n2)n1.[Ir+3].[Pt+2].[Pt].[c-]1ccccc1-c1ccc(CCc2ccc(CCc3cc[c-]c(-[n+]4ccccc4)c3)cc2CCc2ccc(-c3[c-]cccc3)nc2)cn1.[c-]1ccccc1-c1nccc2ccccc12.c1c2c(cc3c1C[n+]1cc4c(cc1-3)C1CCC4C1)CCCC2.c1ccc2c(c1)C[n+]1ccccc1-2
• InChI: InChI=1S/C45H37N3.C30H23N3.C23H26N.C21H22N.C15H10N.C12H10N.C5H8O2.Ir.2Pt/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;1-22-12-6-8-16-25(22)27-18-10-20-29(31-27)33(24-14-4-3-5-15-24)30-21-11-19-28(32-30)26-17-9-7-13-23(26)2;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;;;/h1-12,14,19,22-24,27-34H,17-18,20-21,25-26H2;3-21H,1-2H2;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;;;/q2*-2;2*+1;-1;+1;;+3;;+2/b;;;;;;4-3-
• InChIKey: NUBANQFYMFWCFP-OAFBTHGLSA-N
• XLogP: 32.04
• TPSA: 120.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2705.19
LogP ≤ 5	32.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium (CID 159129315) is 16-azoniahexacyclo[17.2.1.02,18.04,16.05,14.07,12]docosa-2,4(16),5(14),6,12,17-hexaene;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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.[CH2-]c1ccccc1-c1cccc(N(c2ccccc2)c2cccc(-c3ccccc3[CH2-])n2)n1.[Ir+3].[Pt+2].[Pt].[c-]1ccccc1-c1ccc(CCc2ccc(CCc3cc[c-]c(-[n+]4ccccc4)c3)cc2CCc2ccc(-c3[c-]cccc3)nc2)cn1.[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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium?

The InChIKey is NUBANQFYMFWCFP-OAFBTHGLSA-N. The full InChI is InChI=1S/C45H37N3.C30H23N3.C23H26N.C21H22N.C15H10N.C12H10N.C5H8O2.Ir.2Pt/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;1-22-12-6-8-16-25(22)27-18-10-20-29(31-27)33(24-14-4-3-5-15-24)30-21-11-19-28(32-30)26-17-9-7-13-23(26)2;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;;;/h1-12,14,19,22-24,27-34H,17-18,20-21,25-26H2;3-21H,1-2H2;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;;;/q2*-2;2*+1;-1;+1;;+3;;+2/b;;;;;;4-3-;;;.

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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 2705.19 g/mol, XLogP of 32.04, 19 rotatable bonds, 1 hydrogen bond donors, and 8 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;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;(Z)-4-hydroxypent-3-en-2-one;iridium(3+);6-(2-methanidylphenyl)-N-[6-(2-methanidylphenyl)-2-pyridinyl]-N-phenylpyridin-2-amine;1-phenylisoquinoline;2-phenyl-5-[2-[2-[2-(6-phenyl-3-pyridinyl)ethyl]-4-[2-(3-pyridin-1-ium-1-ylbenzene-4-id-1-yl)ethyl]phenyl]ethyl]pyridine;platinum;platinum(2+);6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 159129315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).