4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile

C69H42N6 — CID 158391932

IUPAC4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C69H42N6/c1-43-34-44(41-70)28-31-49(43)50-32-30-48(74-63-26-14-10-22-53(63)59-37-57-51-20-8-12-24-61(51)72(66(57)39-68(59)74)46-16-4-2-5-17-46)36-55(50)56-35-45(42-71)29-33-65(56)75-64-27-15-11-23-54(64)60-38-58-52-21-9-13-25-62(52)73(67(58)40-69(60)75)47-18-6-3-7-19-47/h2-40H,1H3
InChIKeyYHZJJLKNSLKSLF-UHFFFAOYSA-N
MW955.14 g/mol
LogP17.46
Rot. Bonds6

About 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile

4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile (PubChem CID 158391932) has the molecular formula C69H42N6 and a molecular weight of 955.14 g/mol. Its IUPAC name is 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile.

Molecular Properties

Compound Name4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
PubChem CID158391932
Molecular FormulaC69H42N6
Molecular Weight955.14 g/mol
Exact Mass954.35
IUPAC Name4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
SMILESCc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21
InChIInChI=1S/C69H42N6/c1-43-34-44(41-70)28-31-49(43)50-32-30-48(74-63-26-14-10-22-53(63)59-37-57-51-20-8-12-24-61(51)72(66(57)39-68(59)74)46-16-4-2-5-17-46)36-55(50)56-35-45(42-71)29-33-65(56)75-64-27-15-11-23-54(64)60-38-58-52-21-9-13-25-62(52)73(67(58)40-69(60)75)47-18-6-3-7-19-47/h2-40H,1H3
InChIKeyYHZJJLKNSLKSLF-UHFFFAOYSA-N
XLogP17.46
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.14
LogP ≤ 517.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[5-cyano-2-(3,6-diphenylcarbazol-9-yl)phenyl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 158689118
4-[2-[5-cyano-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]-4-(3,6-ditert-butylcarbazol-9-yl)phenyl]-3-methylbenzonitrile
CID 158689119
4-[4-[5-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile
CID 161094187
4-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-[2-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]-3-methylbenzonitrile
CID 162088323
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
4-(4-cyano-2-methylphenyl)-3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]benzonitrile
CID 142414150
9-[4-[2-(2-carbazol-9-yl-5-cyanophenyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155079786
3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 138515729
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
4-(4-carbazol-9-yl-2-cyanophenyl)-3-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079511

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The IUPAC name of 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile (CID 158391932) is 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile.
What is the SMILES notation for 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The canonical SMILES for 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile is Cc1cc(C#N)ccc1-c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)cc1-c1cc(C#N)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
The InChIKey is YHZJJLKNSLKSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42N6/c1-43-34-44(41-70)28-31-49(43)50-32-30-48(74-63-26-14-10-22-53(63)59-37-57-51-20-8-12-24-61(51)72(66(57)39-68(59)74)46-16-4-2-5-17-46)36-55(50)56-35-45(42-71)29-33-65(56)75-64-27-15-11-23-54(64)60-38-58-52-21-9-13-25-62(52)73(67(58)40-69(60)75)47-18-6-3-7-19-47/h2-40H,1H3.
What are the key properties of 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile?
4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile has a molecular weight of 955.14 g/mol, XLogP of 17.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-cyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-3-methylbenzonitrile is sourced from PubChem (CID 158391932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).