2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile

C57H39N5 — CID 155417329

About 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile

2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile (PubChem CID 155417329) has the molecular formula C57H39N5 and a molecular weight of 793.97 g/mol. Its IUPAC name is 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

• Compound Name: 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
• PubChem CID: 155417329
• Molecular Formula: C57H39N5
• Molecular Weight: 793.97 g/mol
• Exact Mass: 793.32
• IUPAC Name: 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile
• SMILES: CC1(C)c2ccccc2C2C=Cc3c(n(-c4cc(C#N)c(-n5c6ccccc6c6c7ccccc7ccc65)cc4C#N)c4ccc(N(c5ccccc5)c5ccccc5)cc34)C21
• InChI: InChI=1S/C57H39N5/c1-57(2)48-23-13-11-21-43(48)44-27-28-45-47-33-41(60(39-16-5-3-6-17-39)40-18-7-4-8-19-40)26-30-50(47)62(56(45)55(44)57)53-32-37(34-58)52(31-38(53)35-59)61-49-24-14-12-22-46(49)54-42-20-10-9-15-36(42)25-29-51(54)61/h3-33,44,55H,1-2H3
• InChIKey: LSMISZDJEFYUQX-UHFFFAOYSA-N
• XLogP: 14.28
• TPSA: 60.68 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.97
LogP ≤ 5	14.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile?

The IUPAC name of 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile (CID 155417329) is 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile.

What is the SMILES notation for 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile?

The canonical SMILES for 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2C2C=Cc3c(n(-c4cc(C#N)c(-n5c6ccccc6c6c7ccccc7ccc65)cc4C#N)c4ccc(N(c5ccccc5)c5ccccc5)cc34)C21.

What is the InChIKey of 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile?

The InChIKey is LSMISZDJEFYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N5/c1-57(2)48-23-13-11-21-43(48)44-27-28-45-47-33-41(60(39-16-5-3-6-17-39)40-18-7-4-8-19-40)26-30-50(47)62(56(45)55(44)57)53-32-37(34-58)52(31-38(53)35-59)61-49-24-14-12-22-46(49)54-42-20-10-9-15-36(42)25-29-51(54)61/h3-33,44,55H,1-2H3.

What are the key properties of 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile?

2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile has a molecular weight of 793.97 g/mol, XLogP of 14.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzo[c]carbazol-7-yl-5-[12,12-dimethyl-8-(N-phenylanilino)-4b,11b-dihydroindeno[2,1-a]carbazol-11-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155417329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).