7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

C48H28N4 — CID 130326598

About 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole

7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (PubChem CID 130326598) has the molecular formula C48H28N4 and a molecular weight of 660.78 g/mol. Its IUPAC name is 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

Molecular Properties

• Compound Name: 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
• PubChem CID: 130326598
• Molecular Formula: C48H28N4
• Molecular Weight: 660.78 g/mol
• Exact Mass: 660.23
• IUPAC Name: 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cnc5c(c4)-c4ccnc6cccc-5c46)ccc32)cc1
• InChI: InChI=1S/C48H28N4/c1-2-10-32(11-3-1)51-42-16-7-6-13-35(42)38-25-30(18-20-43(38)51)31-19-21-44-40(26-31)47-34-12-5-4-9-29(34)17-22-45(47)52(44)33-27-39-36-23-24-49-41-15-8-14-37(46(36)41)48(39)50-28-33/h1-28H
• InChIKey: PMGZJEMUILPUAE-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 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

The IUPAC name of 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole (CID 130326598) is 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole.

What is the SMILES notation for 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

The canonical SMILES for 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4c6ccccc6ccc4n5-c4cnc5c(c4)-c4ccnc6cccc-5c46)ccc32)cc1.

What is the InChIKey of 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

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

What are the key properties of 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole?

7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[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 7-(4,11-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10(15),11,13-octaen-13-yl)-10-(9-phenylcarbazol-3-yl)benzo[c]carbazole is sourced from PubChem (CID 130326598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).