10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole

C48H28N4 — CID 130326125

About 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole

10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole (PubChem CID 130326125) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole.

Molecular Properties

• Compound Name: 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
• PubChem CID: 130326125
• Molecular Formula: C48H28N4
• Molecular Weight: 660.78 g/mol
• Exact Mass: 660.23
• IUPAC Name: 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole
• SMILES: c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cccc6c5c(n4)-c4ncccc4-6)cc3c3c4ccccc4ccc32)cc1
• InChI: InChI=1S/C48H28N4/c1-2-12-33(13-3-1)51-42-23-21-31(27-39(42)46-34-14-5-4-10-29(34)19-24-43(46)51)30-20-22-41-38(26-30)35-15-6-7-18-40(35)52(41)44-28-32-11-8-16-36-37-17-9-25-49-47(37)48(50-44)45(32)36/h1-28H
• InChIKey: DHWKCELIYIBENV-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	660.78
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The IUPAC name of 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole (CID 130326125) is 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole.

What is the SMILES notation for 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The canonical SMILES for 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4cc5cccc6c5c(n4)-c4ncccc4-6)cc3c3c4ccccc4ccc32)cc1.

What is the InChIKey of 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

The InChIKey is DHWKCELIYIBENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4/c1-2-12-33(13-3-1)51-42-23-21-31(27-39(42)46-34-14-5-4-10-29(34)19-24-43(46)51)30-20-22-41-38(26-30)35-15-6-7-18-40(35)52(41)44-28-32-11-8-16-36-37-17-9-25-49-47(37)48(50-44)45(32)36/h1-28H.

What are the key properties of 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole?

10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole has a molecular weight of 660.78 g/mol, XLogP of 12.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[9-(2,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10(15),11,13-octaen-3-yl)carbazol-3-yl]-7-phenylbenzo[c]carbazole is sourced from PubChem (CID 130326125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).