10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole

C49H29N3 — CID 130326341

About 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole

10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole (PubChem CID 130326341) has the molecular formula C49H29N3 and a molecular weight of 659.79 g/mol. Its IUPAC name is 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
• PubChem CID: 130326341
• Molecular Formula: C49H29N3
• Molecular Weight: 659.79 g/mol
• Exact Mass: 659.24
• IUPAC Name: 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)cc3c3c4ccccc4ccc32)cc1
• InChI: InChI=1S/C49H29N3/c1-2-10-33(11-3-1)51-46-22-19-32(28-41(46)49-34-12-5-4-9-30(34)17-23-47(49)51)31-18-21-45-40(27-31)36-13-6-7-16-43(36)52(45)44-24-20-38-42-29-50-26-25-35(42)37-14-8-15-39(44)48(37)38/h1-29H
• InChIKey: LNWIYUJGRBIVBB-UHFFFAOYSA-N
• XLogP: 12.90
• TPSA: 22.75 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.79
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The IUPAC name of 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole (CID 130326341) is 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole.

What is the SMILES notation for 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The canonical SMILES for 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c6c(cccc46)-c4ccncc4-5)cc3c3c4ccccc4ccc32)cc1.

What is the InChIKey of 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The InChIKey is LNWIYUJGRBIVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3/c1-2-10-33(11-3-1)51-46-22-19-32(28-41(46)49-34-12-5-4-9-30(34)17-23-47(49)51)31-18-21-45-40(27-31)36-13-6-7-16-43(36)52(45)44-24-20-38-42-29-50-26-25-35(42)37-14-8-15-39(44)48(37)38/h1-29H.

What are the key properties of 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 659.79 g/mol, XLogP of 12.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-6-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 130326341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).