5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole

C55H33N3 — CID 130326772

About 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole

5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole (PubChem CID 130326772) has the molecular formula C55H33N3 and a molecular weight of 735.89 g/mol. Its IUPAC name is 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
• PubChem CID: 130326772
• Molecular Formula: C55H33N3
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.27
• IUPAC Name: 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6c7c(cccc7n5)-c5ccccc5-6)cc4)cc32)cc1
• InChI: InChI=1S/C55H33N3/c1-2-13-36(14-3-1)58-51-24-11-9-20-44(51)55-43-19-7-6-17-40(43)45(33-53(55)58)35-27-30-52-46(31-35)41-18-8-10-23-50(41)57(52)37-28-25-34(26-29-37)49-32-47-39-16-5-4-15-38(39)42-21-12-22-48(56-49)54(42)47/h1-33H
• InChIKey: QGCOKNUIAWJMAQ-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.89
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The IUPAC name of 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole (CID 130326772) is 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole.

What is the SMILES notation for 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The canonical SMILES for 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccccc3c3c4ccccc4c(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cc6c7c(cccc7n5)-c5ccccc5-6)cc4)cc32)cc1.

What is the InChIKey of 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The InChIKey is QGCOKNUIAWJMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3/c1-2-13-36(14-3-1)58-51-24-11-9-20-44(51)55-43-19-7-6-17-40(43)45(33-53(55)58)35-27-30-52-46(31-35)41-18-8-10-23-50(41)57(52)37-28-25-34(26-29-37)49-32-47-39-16-5-4-15-38(39)42-21-12-22-48(56-49)54(42)47/h1-33H.

What are the key properties of 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole?

5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 735.89 g/mol, XLogP of 14.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[9-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 130326772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).