6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

C60H41N3 — CID 118187193

About 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine

6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (PubChem CID 118187193) has the molecular formula C60H41N3 and a molecular weight of 804.01 g/mol. Its IUPAC name is 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.

Molecular Properties

• Compound Name: 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
• PubChem CID: 118187193
• Molecular Formula: C60H41N3
• Molecular Weight: 804.01 g/mol
• Exact Mass: 803.33
• IUPAC Name: 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
• SMILES: C=C/C(=C\C=C\c1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cccc5c6ccccc6n4c53)ccc1n2-c1ccccc1
• InChI: InChI=1S/C60H41N3/c1-2-46(23-14-18-41-16-6-3-7-17-41)61(48-32-28-43(29-33-48)42-19-8-4-9-20-42)49-34-37-58-55(40-49)54-39-45(30-35-57(54)62(58)47-21-10-5-11-22-47)44-31-36-59-53(38-44)52-26-15-25-51-50-24-12-13-27-56(50)63(59)60(51)52/h2-40H,1H2/b18-14+,46-23+
• InChIKey: FICKMERBNQEBFN-PCBJPABFSA-N
• XLogP: 16.19
• TPSA: 12.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	804.01
LogP ≤ 5	16.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The IUPAC name of 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine (CID 118187193) is 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine.

What is the SMILES notation for 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The canonical SMILES for 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is C=C/C(=C\C=C\c1ccccc1)N(c1ccc(-c2ccccc2)cc1)c1ccc2c(c1)c1cc(-c3ccc4c(c3)c3cccc5c6ccccc6n4c53)ccc1n2-c1ccccc1.

What is the InChIKey of 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

The InChIKey is FICKMERBNQEBFN-PCBJPABFSA-N. The full InChI is InChI=1S/C60H41N3/c1-2-46(23-14-18-41-16-6-3-7-17-41)61(48-32-28-43(29-33-48)42-19-8-4-9-20-42)49-34-37-58-55(40-49)54-39-45(30-35-57(54)62(58)47-21-10-5-11-22-47)44-31-36-59-53(38-44)52-26-15-25-51-50-24-12-13-27-56(50)63(59)60(51)52/h2-40H,1H2/b18-14+,46-23+.

What are the key properties of 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine?

6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine has a molecular weight of 804.01 g/mol, XLogP of 16.19, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 118187193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).