2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline

C56H36N4 — CID 118492879

About 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline

2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline (PubChem CID 118492879) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline.

Molecular Properties

• Compound Name: 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline
• PubChem CID: 118492879
• Molecular Formula: C56H36N4
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline
• SMILES: Nc1ccccc1/C(c1ccccc1)=c1/c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc3c4ccccc4n1c23
• InChI: InChI=1S/C56H36N4/c57-48-23-11-7-22-43(48)54(35-15-3-1-4-16-35)56-47-34-39(33-46-42-21-10-14-26-51(42)60(56)55(46)47)59-50-25-13-9-20-41(50)45-32-37(28-30-53(45)59)36-27-29-52-44(31-36)40-19-8-12-24-49(40)58(52)38-17-5-2-6-18-38/h1-34H,57H2/b56-54-
• InChIKey: SEIZVUCGXRGUHO-FZSBMVQHSA-N
• XLogP: 13.09
• TPSA: 40.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	13.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline?

The IUPAC name of 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline (CID 118492879) is 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline.

What is the SMILES notation for 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline?

The canonical SMILES for 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline is Nc1ccccc1/C(c1ccccc1)=c1/c2cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc3c4ccccc4n1c23.

What is the InChIKey of 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline?

The InChIKey is SEIZVUCGXRGUHO-FZSBMVQHSA-N. The full InChI is InChI=1S/C56H36N4/c57-48-23-11-7-22-43(48)54(35-15-3-1-4-16-35)56-47-34-39(33-46-42-21-10-14-26-51(42)60(56)55(46)47)59-50-25-13-9-20-41(50)45-32-37(28-30-53(45)59)36-27-29-52-44(31-36)40-19-8-12-24-49(40)58(52)38-17-5-2-6-18-38/h1-34H,57H2/b56-54-.

What are the key properties of 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline?

2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline has a molecular weight of 764.93 g/mol, XLogP of 13.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(Z)-phenyl-[12-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8-azatetracyclo[6.5.1.02,7.010,14]tetradeca-1(14),2,4,6,10,12-hexaen-9-ylidene]methyl]aniline is sourced from PubChem (CID 118492879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).