2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile

C53H32N4O — CID 129300038

About 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile

2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile (PubChem CID 129300038) has the molecular formula C53H32N4O and a molecular weight of 740.87 g/mol. Its IUPAC name is 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile.

Molecular Properties

• Compound Name: 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
• PubChem CID: 129300038
• Molecular Formula: C53H32N4O
• Molecular Weight: 740.87 g/mol
• Exact Mass: 740.26
• IUPAC Name: 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1C#N
• InChI: InChI=1S/C53H32N4O/c1-53(2)43-18-7-3-13-35(43)39-26-48-40(25-44(39)53)36-14-4-8-19-46(36)56(48)45-23-22-31(24-33(45)30-55)34-17-11-12-32(29-54)52(34)57-47-20-9-5-15-37(47)41-28-51-42(27-49(41)57)38-16-6-10-21-50(38)58-51/h3-28H,1-2H3
• InChIKey: MFOGYFJEMLDJJP-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 70.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.87
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile?

The IUPAC name of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile (CID 129300038) is 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile.

What is the SMILES notation for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile?

The canonical SMILES for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2cccc(C#N)c2-n2c3ccccc3c3cc4oc5ccccc5c4cc32)cc1C#N.

What is the InChIKey of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile?

The InChIKey is MFOGYFJEMLDJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N4O/c1-53(2)43-18-7-3-13-35(43)39-26-48-40(25-44(39)53)36-14-4-8-19-46(36)56(48)45-23-22-31(24-33(45)30-55)34-17-11-12-32(29-54)52(34)57-47-20-9-5-15-37(47)41-28-51-42(27-49(41)57)38-16-6-10-21-50(38)58-51/h3-28H,1-2H3.

What are the key properties of 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile?

2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile has a molecular weight of 740.87 g/mol, XLogP of 13.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-([1]benzofuro[3,2-b]carbazol-11-yl)-3-[3-cyano-4-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile is sourced from PubChem (CID 129300038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).