7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

C55H33N3 — CID 130325764

About 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (PubChem CID 130325764) has the molecular formula C55H33N3 and a molecular weight of 735.89 g/mol. Its IUPAC name is 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
• PubChem CID: 130325764
• Molecular Formula: C55H33N3
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.27
• IUPAC Name: 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cccc(-c5cc6cccc7c6c(n5)-c5ccccc5-7)c4)ccc32)cc1
• InChI: InChI=1S/C55H33N3/c1-2-15-39(16-3-1)57-49-23-9-8-20-43(49)46-31-35(25-27-50(46)57)36-26-28-51-47(32-36)54-41-18-5-4-12-34(41)24-29-52(54)58(51)40-17-10-13-37(30-40)48-33-38-14-11-22-44-42-19-6-7-21-45(42)55(56-48)53(38)44/h1-33H
• InChIKey: WSOGRLKIVLGWFU-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 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

The IUPAC name of 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (CID 130325764) is 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

What is the SMILES notation for 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

The canonical SMILES for 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cccc(-c5cc6cccc7c6c(n5)-c5ccccc5-7)c4)ccc32)cc1.

What is the InChIKey of 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

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

What are the key properties of 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[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 7-[3-(2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaen-3-yl)phenyl]-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is sourced from PubChem (CID 130325764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).