4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)

C169H147Ir3N13O4Pt2- — CID 158755785

About 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)

4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+) (PubChem CID 158755785) has the molecular formula C169H147Ir3N13O4Pt2- and a molecular weight of 3390.93 g/mol. Its IUPAC name is 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+).

Molecular Properties

• Compound Name: 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)
• PubChem CID: 158755785
• Molecular Formula: C169H147Ir3N13O4Pt2-
• Molecular Weight: 3390.93 g/mol
• Exact Mass: 3390.99
• IUPAC Name: 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)C2Cc3cc4[n+](cc3C1C2)Cc1cc2c(cc1-4)CCCC2.[Ir+3].[Ir].[Ir].[Pt+2].[Pt].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[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-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.c1c2c(cc3c1C[n+]1cc4c(cc1-3)CC1CC4C1)CCCC2
• InChI: InChI=1S/C45H36N3.C28H19N3.C23H26N.C21H22N.C16H10N3.C15H10N.C11H8N.2C5H8O2.3Ir.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;1-2-4-15-9-19-18(8-14(15)3-1)11-22-12-20-16-5-13(6-16)7-17(20)10-21(19)22;1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*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;8-10,12-13,16H,1-7,11H2;1-10H;1-7,9-11H;1-6,8-9H;2*3,6H,1-2H3;;;;;/q-3;-2;2*+1;3*-1;;;;;+3;;+2
• InChIKey: QWACHXOTMZVGFP-UHFFFAOYSA-N
• XLogP: 36.69
• TPSA: 206.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3390.93
LogP ≤ 5	36.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

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 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)?

The IUPAC name of 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+) (CID 158755785) is 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+).

What is the SMILES notation for 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)?

The canonical SMILES for 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC1(C)C2Cc3cc4[n+](cc3C1C2)Cc1cc2c(cc1-4)CCCC2.[Ir+3].[Ir].[Ir].[Pt+2].[Pt].[c-]1ccc2ccccc2c1-n1nc2ccccc2n1.[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-c1ccccn1.[c-]1ccccc1-c1nccc2ccccc12.c1c2c(cc3c1C[n+]1cc4c(cc1-3)CC1CC4C1)CCCC2.

What is the InChIKey of 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)?

The InChIKey is QWACHXOTMZVGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N3.C28H19N3.C23H26N.C21H22N.C16H10N3.C15H10N.C11H8N.2C5H8O2.3Ir.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;1-2-4-15-9-19-18(8-14(15)3-1)11-22-12-20-16-5-13(6-16)7-17(20)10-21(19)22;1-2-8-13-12(6-1)7-5-11-16(13)19-17-14-9-3-4-10-15(14)18-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*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;8-10,12-13,16H,1-7,11H2;1-10H;1-7,9-11H;1-6,8-9H;2*3,6H,1-2H3;;;;;/q-3;-2;2*+1;3*-1;;;;;+3;;+2.

What are the key properties of 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+)?

4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+) has a molecular weight of 3390.93 g/mol, XLogP of 36.69, 22 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-azoniahexacyclo[18.1.1.02,18.04,16.06,15.08,13]docosa-2,4(16),6(15),7,13,17-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;bis(4-hydroxypent-3-en-2-one);bis(iridium);iridium(3+);2-(2H-naphthalen-2-id-1-yl)benzotriazole;1-phenylisoquinoline;N-phenyl-6-phenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine;platinum;platinum(2+) is sourced from PubChem (CID 158755785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).