4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile

C66H34N8 — CID 155377784

IUPAC4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1
InChIInChI=1S/C66H34N8/c67-35-41-6-1-11-46(24-41)50-16-20-61-57(29-50)58-30-51(47-12-2-7-42(25-47)36-68)17-21-62(58)73(61)65-33-55(40-72)56(54-15-5-10-45(28-54)39-71)34-66(65)74-63-22-18-52(48-13-3-8-43(26-48)37-69)31-59(63)60-32-53(19-23-64(60)74)49-14-4-9-44(27-49)38-70/h1-34H
InChIKeyRPEDJURGLYXJRY-UHFFFAOYSA-N
MW939.05 g/mol
LogP15.45
Rot. Bonds7

About 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile

4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile (PubChem CID 155377784) has the molecular formula C66H34N8 and a molecular weight of 939.05 g/mol. Its IUPAC name is 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile.

Molecular Properties

Compound Name4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
PubChem CID155377784
Molecular FormulaC66H34N8
Molecular Weight939.05 g/mol
Exact Mass938.29
IUPAC Name4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1
InChIInChI=1S/C66H34N8/c67-35-41-6-1-11-46(24-41)50-16-20-61-57(29-50)58-30-51(47-12-2-7-42(25-47)36-68)17-21-62(58)73(61)65-33-55(40-72)56(54-15-5-10-45(28-54)39-71)34-66(65)74-63-22-18-52(48-13-3-8-43(26-48)37-69)31-59(63)60-32-53(19-23-64(60)74)49-14-4-9-44(27-49)38-70/h1-34H
InChIKeyRPEDJURGLYXJRY-UHFFFAOYSA-N
XLogP15.45
TPSA152.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.05
LogP ≤ 515.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
5-[2-[9-[5-cyano-4-(3-cyanophenyl)-2-(2-phenylcarbazol-9-yl)phenyl]-2-phenylcarbazol-3-yl]-3-phenylcarbazol-9-yl]-2-(3-cyanophenyl)-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 146237934
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
4,5-bis[3-(3-cyanophenyl)carbazol-9-yl]-2-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 139562714
5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138729285
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
3-[3-[4,6-bis[4-(3-cyanophenyl)-3-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 162681285
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
5-carbazol-9-yl-2-(3-cyanophenyl)-4-(2,7-ditert-butylcarbazol-9-yl)benzonitrile
CID 155646850
2-[9-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)-4-(trifluoromethyl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155377871
4,5-bis(2-tert-butylcarbazol-9-yl)-2-(3-cyanophenyl)benzonitrile
CID 146238034

Frequently Asked Questions

What is the IUPAC name of 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
The IUPAC name of 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile (CID 155377784) is 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile.
What is the SMILES notation for 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
The canonical SMILES for 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile is N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2cc(C#N)c(-c3cccc(C#N)c3)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)c1.
What is the InChIKey of 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
The InChIKey is RPEDJURGLYXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H34N8/c67-35-41-6-1-11-46(24-41)50-16-20-61-57(29-50)58-30-51(47-12-2-7-42(25-47)36-68)17-21-62(58)73(61)65-33-55(40-72)56(54-15-5-10-45(28-54)39-71)34-66(65)74-63-22-18-52(48-13-3-8-43(26-48)37-69)31-59(63)60-32-53(19-23-64(60)74)49-14-4-9-44(27-49)38-70/h1-34H.
What are the key properties of 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile?
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile has a molecular weight of 939.05 g/mol, XLogP of 15.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile is sourced from PubChem (CID 155377784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).