15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

C56H35N5 — CID 118204094

About 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene

15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 118204094) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

Molecular Properties

• Compound Name: 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 118204094
• Molecular Formula: C56H35N5
• Molecular Weight: 777.93 g/mol
• Exact Mass: 777.29
• IUPAC Name: 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• SMILES: C1=C(n2c3cccc4ccc5cc(-c6cccnc6)cc2c5c43)CCc2c1c1cc(-n3c4cccc5ccc6cc(-c7cccnc7)cc3c6c54)ccc1n2-c1ccccc1
• InChI: InChI=1S/C56H35N5/c1-2-12-42(13-3-1)59-47-22-20-43(60-49-14-4-8-34-16-18-36-26-40(38-10-6-24-57-32-38)28-51(60)55(36)53(34)49)30-45(47)46-31-44(21-23-48(46)59)61-50-15-5-9-35-17-19-37-27-41(39-11-7-25-58-33-39)29-52(61)56(37)54(35)50/h1-20,22,24-33H,21,23H2
• InChIKey: CKDLYVFQWXGVSK-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.93
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The IUPAC name of 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 118204094) is 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene.

What is the SMILES notation for 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The canonical SMILES for 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is C1=C(n2c3cccc4ccc5cc(-c6cccnc6)cc2c5c43)CCc2c1c1cc(-n3c4cccc5ccc6cc(-c7cccnc7)cc3c6c54)ccc1n2-c1ccccc1.

What is the InChIKey of 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

The InChIKey is CKDLYVFQWXGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-2-12-42(13-3-1)59-47-22-20-43(60-49-14-4-8-34-16-18-36-26-40(38-10-6-24-57-32-38)28-51(60)55(36)53(34)49)30-45(47)46-31-44(21-23-48(46)59)61-50-15-5-9-35-17-19-37-27-41(39-11-7-25-58-33-39)29-52(61)56(37)54(35)50/h1-20,22,24-33H,21,23H2.

What are the key properties of 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene?

15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene has a molecular weight of 777.93 g/mol, XLogP of 14.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[9-phenyl-6-(3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)-1,2-dihydrocarbazol-3-yl]-3-pyridin-3-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is sourced from PubChem (CID 118204094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).