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

C56H33N5 — CID 118204188

About 15-[9-phenyl-6-(3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (PubChem CID 118204188) has the molecular formula C56H33N5 and a molecular weight of 775.92 g/mol. Its IUPAC name is 15-[9-phenyl-6-(3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• PubChem CID: 118204188
• Molecular Formula: C56H33N5
• Molecular Weight: 775.92 g/mol
• Exact Mass: 775.27
• IUPAC Name: 15-[9-phenyl-6-(3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene
• SMILES: c1ccc(-n2c3ccc(-n4c5cccc6ccc7cc(-c8ccncc8)cc4c7c65)cc3c3cc(-n4c5cccc6ccc7cc(-c8ccncc8)cc4c7c65)ccc32)cc1
• InChI: InChI=1S/C56H33N5/c1-2-8-42(9-3-1)59-47-18-16-43(60-49-10-4-6-36-12-14-38-28-40(34-20-24-57-25-21-34)30-51(60)55(38)53(36)49)32-45(47)46-33-44(17-19-48(46)59)61-50-11-5-7-37-13-15-39-29-41(35-22-26-58-27-23-35)31-52(61)56(39)54(37)50/h1-33H
• InChIKey: JKEWIGBPZZOWCP-UHFFFAOYSA-N
• XLogP: 14.28
• 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	775.92
LogP ≤ 5	14.28
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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene (CID 118204188) is 15-[9-phenyl-6-(3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene is c1ccc(-n2c3ccc(-n4c5cccc6ccc7cc(-c8ccncc8)cc4c7c65)cc3c3cc(-n4c5cccc6ccc7cc(-c8ccncc8)cc4c7c65)ccc32)cc1.

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

The InChIKey is JKEWIGBPZZOWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N5/c1-2-8-42(9-3-1)59-47-18-16-43(60-49-10-4-6-36-12-14-38-28-40(34-20-24-57-25-21-34)30-51(60)55(38)53(36)49)32-45(47)46-33-44(17-19-48(46)59)61-50-11-5-7-37-13-15-39-29-41(35-22-26-58-27-23-35)31-52(61)56(39)54(37)50/h1-33H.

What are the key properties of 15-[9-phenyl-6-(3-pyridin-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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 775.92 g/mol, XLogP of 14.28, 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-4-yl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-15-yl)carbazol-3-yl]-3-pyridin-4-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 118204188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).