4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile

C54H27N7 — CID 122431631

IUPAC4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccc(C#N)cc4C#N)ccc2n3-c2ccccc2-c2ccc(C#N)cc2C#N)c(C#N)c1
InChIInChI=1S/C54H27N7/c55-28-34-13-18-44(39(23-34)31-58)47-9-3-1-7-42(47)37-16-21-53-50(26-37)51-27-38(43-8-2-4-10-48(43)45-19-14-35(29-56)24-40(45)32-59)17-22-54(51)61(53)52-12-6-5-11-49(52)46-20-15-36(30-57)25-41(46)33-60/h1-27H
InChIKeyFRDACQAJORRWBW-UHFFFAOYSA-N
MW773.86 g/mol
LogP12.35
Rot. Bonds6

About 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile

4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile (PubChem CID 122431631) has the molecular formula C54H27N7 and a molecular weight of 773.86 g/mol. Its IUPAC name is 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
PubChem CID122431631
Molecular FormulaC54H27N7
Molecular Weight773.86 g/mol
Exact Mass773.23
IUPAC Name4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccc(C#N)cc4C#N)ccc2n3-c2ccccc2-c2ccc(C#N)cc2C#N)c(C#N)c1
InChIInChI=1S/C54H27N7/c55-28-34-13-18-44(39(23-34)31-58)47-9-3-1-7-42(47)37-16-21-53-50(26-37)51-27-38(43-8-2-4-10-48(43)45-19-14-35(29-56)24-40(45)32-59)17-22-54(51)61(53)52-12-6-5-11-49(52)46-20-15-36(30-57)25-41(46)33-60/h1-27H
InChIKeyFRDACQAJORRWBW-UHFFFAOYSA-N
XLogP12.35
TPSA147.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.86
LogP ≤ 512.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602
4-[9-[2-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155462890
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949
4-[2-[3-(4-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164744010
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile (CID 122431631) is 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile is N#Cc1ccc(-c2ccccc2-c2ccc3c(c2)c2cc(-c4ccccc4-c4ccc(C#N)cc4C#N)ccc2n3-c2ccccc2-c2ccc(C#N)cc2C#N)c(C#N)c1.
What is the InChIKey of 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile?
The InChIKey is FRDACQAJORRWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H27N7/c55-28-34-13-18-44(39(23-34)31-58)47-9-3-1-7-42(47)37-16-21-53-50(26-37)51-27-38(43-8-2-4-10-48(43)45-19-14-35(29-56)24-40(45)32-59)17-22-54(51)61(53)52-12-6-5-11-49(52)46-20-15-36(30-57)25-41(46)33-60/h1-27H.
What are the key properties of 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile?
4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile has a molecular weight of 773.86 g/mol, XLogP of 12.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6,9-bis[2-(2,4-dicyanophenyl)phenyl]carbazol-3-yl]phenyl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 122431631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).