12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

C56H34N4 — CID 122466261

About 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene

12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (PubChem CID 122466261) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

Molecular Properties

• Compound Name: 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
• PubChem CID: 122466261
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
• SMILES: c1ccc(-c2ccc3c4c(cccc24)-c2nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2-3)cc1
• InChI: InChI=1S/C56H34N4/c1-2-13-35(14-3-1)40-33-34-46-52-45(40)19-12-20-47(52)55-53(46)54(36-25-29-38(30-26-36)59-48-21-8-4-15-41(48)42-16-5-9-22-49(42)59)57-56(58-55)37-27-31-39(32-28-37)60-50-23-10-6-17-43(50)44-18-7-11-24-51(44)60/h1-34H
• InChIKey: FPYFCTBDTUTTEB-UHFFFAOYSA-N
• XLogP: 14.47
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	14.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

The IUPAC name of 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene (CID 122466261) is 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene.

What is the SMILES notation for 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

The canonical SMILES for 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is c1ccc(-c2ccc3c4c(cccc24)-c2nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)c2-3)cc1.

What is the InChIKey of 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

The InChIKey is FPYFCTBDTUTTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-2-13-35(14-3-1)40-33-34-46-52-45(40)19-12-20-47(52)55-53(46)54(36-25-29-38(30-26-36)59-48-21-8-4-15-41(48)42-16-5-9-22-49(42)59)57-56(58-55)37-27-31-39(32-28-37)60-50-23-10-6-17-43(50)44-18-7-11-24-51(44)60/h1-34H.

What are the key properties of 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene?

12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene has a molecular weight of 762.92 g/mol, XLogP of 14.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,14-bis(4-carbazol-9-ylphenyl)-4-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene is sourced from PubChem (CID 122466261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).