4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile

C89H65N5 — CID 166874656

About 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile

4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile (PubChem CID 166874656) has the molecular formula C89H65N5 and a molecular weight of 1204.53 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile.

Molecular Properties

• Compound Name: 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile
• PubChem CID: 166874656
• Molecular Formula: C89H65N5
• Molecular Weight: 1204.53 g/mol
• Exact Mass: 1203.52
• IUPAC Name: 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile
• SMILES: CC(C)(C)c1cccc(-c2c(-n3c4c(c5cc(-c6ccccc6)ccc53)CC(c3ccccc3)C=C4)c(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4c(c5ccccc53)CCC=C4)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1
• InChI: InChI=1S/C89H65N5/c1-89(2,3)66-34-24-33-65(51-66)84-87(93-80-47-43-61(57-25-8-4-9-26-57)52-71(80)72-53-62(44-48-81(72)93)58-27-10-5-11-28-58)85(91-76-39-20-16-35-67(76)68-36-17-21-40-77(68)91)75(56-90)86(92-78-41-22-18-37-69(78)70-38-19-23-42-79(70)92)88(84)94-82-49-45-63(59-29-12-6-13-30-59)54-73(82)74-55-64(46-50-83(74)94)60-31-14-7-15-32-60/h4-18,20-37,39-52,54-55,62H,19,38,53H2,1-3H3
• InChIKey: RKONLHDTIQXMIC-UHFFFAOYSA-N
• XLogP: 22.92
• TPSA: 43.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1204.53
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile?

The IUPAC name of 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile (CID 166874656) is 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile.

What is the SMILES notation for 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile?

The canonical SMILES for 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile is CC(C)(C)c1cccc(-c2c(-n3c4c(c5cc(-c6ccccc6)ccc53)CC(c3ccccc3)C=C4)c(-n3c4ccccc4c4ccccc43)c(C#N)c(-n3c4c(c5ccccc53)CCC=C4)c2-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1.

What is the InChIKey of 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile?

The InChIKey is RKONLHDTIQXMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H65N5/c1-89(2,3)66-34-24-33-65(51-66)84-87(93-80-47-43-61(57-25-8-4-9-26-57)52-71(80)72-53-62(44-48-81(72)93)58-27-10-5-11-28-58)85(91-76-39-20-16-35-67(76)68-36-17-21-40-77(68)91)75(56-90)86(92-78-41-22-18-37-69(78)70-38-19-23-42-79(70)92)88(84)94-82-49-45-63(59-29-12-6-13-30-59)54-73(82)74-55-64(46-50-83(74)94)60-31-14-7-15-32-60/h4-18,20-37,39-52,54-55,62H,19,38,53H2,1-3H3.

What are the key properties of 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile?

4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile has a molecular weight of 1204.53 g/mol, XLogP of 22.92, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-tert-butylphenyl)-2-carbazol-9-yl-6-(3,4-dihydrocarbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-3-(3,6-diphenyl-3,4-dihydrocarbazol-9-yl)benzonitrile is sourced from PubChem (CID 166874656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).