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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium

C127H116IrN8O4Pt2 — CID 163587361

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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 163587361) has the molecular formula C127H116IrN8O4Pt2 and a molecular weight of 2400.75 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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium
• PubChem CID: 163587361
• Molecular Formula: C127H116IrN8O4Pt2
• Molecular Weight: 2400.75 g/mol
• Exact Mass: 2399.80
• 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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium
• SMILES: CC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CC1(C)C2Cc3cc4[n+](cc3C1C2)Cc1cc2c(cc1-4)CCCC2.Nc1[c-]ccc2ccccc12.[H]/N=C1\C=CC=CC1=[N-].[Ir].[Pt+4].[Pt].[c-]1ccccc1-c1[c-]c(N(c2[c-]c(-c3[c-]cccc3)ccc2)c2ccccc2)ccc1.[c-]1ccccc1-c1nccc2ccccc12.c1c2c(cc3c1C[n+]1cc4c(cc1-3)C1CCC4C1)CCCC2.c1ccc2c(c1)C[n+]1ccccc1-2
• InChI: InChI=1S/C30H19N.C23H26N.C21H22N.C15H10N.C12H10N.C10H8N.C6H5N2.2C5H8O2.Ir.2Pt/c1-4-12-24(13-5-1)26-16-10-20-29(22-26)31(28-18-8-3-9-19-28)30-21-11-17-27(23-30)25-14-6-2-7-15-25;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;11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)8;2*1-4(6)3-5(2)7;;;/h1-12,14,16-21H;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;1-6H,11H2;1-4,7H;2*3,6H,1-2H3;;;/q-4;2*+1;-1;+1;2*-1;;;;;+4/b;;;;;;7-5+;4-3-
• InChIKey: IUQXJTHEEOFGKT-KJPIRVGOSA-N
• XLogP: 27.64
• TPSA: 174.54 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2400.75
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium (CID 163587361) 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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium is CC(=O)/C=C(/C)O.CC(=O)C=C(C)O.CC1(C)C2Cc3cc4[n+](cc3C1C2)Cc1cc2c(cc1-4)CCCC2.Nc1[c-]ccc2ccccc12.[H]/N=C1\C=CC=CC1=[N-].[Ir].[Pt+4].[Pt].[c-]1ccccc1-c1[c-]c(N(c2[c-]c(-c3[c-]cccc3)ccc2)c2ccccc2)ccc1.[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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium?

The InChIKey is IUQXJTHEEOFGKT-KJPIRVGOSA-N. The full InChI is InChI=1S/C30H19N.C23H26N.C21H22N.C15H10N.C12H10N.C10H8N.C6H5N2.2C5H8O2.Ir.2Pt/c1-4-12-24(13-5-1)26-16-10-20-29(22-26)31(28-18-8-3-9-19-28)30-21-11-17-27(23-30)25-14-6-2-7-15-25;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;11-10-7-3-5-8-4-1-2-6-9(8)10;7-5-3-1-2-4-6(5)8;2*1-4(6)3-5(2)7;;;/h1-12,14,16-21H;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;1-6H,11H2;1-4,7H;2*3,6H,1-2H3;;;/q-4;2*+1;-1;+1;2*-1;;;;;+4/b;;;;;;7-5+;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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 2400.75 g/mol, XLogP of 27.64, 8 rotatable bonds, 4 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;4-hydroxypent-3-en-2-one;(Z)-4-hydroxypent-3-en-2-one;(6-iminocyclohexa-2,4-dien-1-ylidene)azanide;iridium;2H-naphthalen-2-id-1-amine;1-phenylisoquinoline;N-phenyl-3-phenyl-N-(3-phenylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum;platinum(4+);6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 163587361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).