9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile

C51H28N6 — CID 146939087

IUPAC9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C51H28N6/c52-29-32-16-22-48-43(26-32)44-27-33(30-53)17-23-49(44)55(48)38-25-34(31-54)24-36(28-38)35-18-20-37(21-19-35)56-45-12-4-3-10-41(45)42-11-7-15-50(51(42)56)57-46-13-5-1-8-39(46)40-9-2-6-14-47(40)57/h1-28H
InChIKeyAGMXYFJGUAZKQY-UHFFFAOYSA-N
MW724.83 g/mol
LogP12.26
Rot. Bonds4

About 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile

9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile (PubChem CID 146939087) has the molecular formula C51H28N6 and a molecular weight of 724.83 g/mol. Its IUPAC name is 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
PubChem CID146939087
Molecular FormulaC51H28N6
Molecular Weight724.83 g/mol
Exact Mass724.24
IUPAC Name9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1cc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C51H28N6/c52-29-32-16-22-48-43(26-32)44-27-33(30-53)17-23-49(44)55(48)38-25-34(31-54)24-36(28-38)35-18-20-37(21-19-35)56-45-12-4-3-10-41(45)42-11-7-15-50(51(42)56)57-46-13-5-1-8-39(46)40-9-2-6-14-47(40)57/h1-28H
InChIKeyAGMXYFJGUAZKQY-UHFFFAOYSA-N
XLogP12.26
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.83
LogP ≤ 512.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
8-carbazol-9-yl-9-[3-(3-carbazol-9-ylphenyl)-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958991
9-[3-[4-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 154959007
9-[9-[4-(3-carbazol-9-yl-5-cyanophenyl)phenyl]carbazol-4-yl]carbazole-3,6-dicarbonitrile
CID 154959004
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[2-[3-(4-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080053
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
9-[4-[3-cyano-5-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081565
5-(1-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 145345087

Frequently Asked Questions

What is the IUPAC name of 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile (CID 146939087) is 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile is N#Cc1cc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)cc2)cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is AGMXYFJGUAZKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H28N6/c52-29-32-16-22-48-43(26-32)44-27-33(30-53)17-23-49(44)55(48)38-25-34(31-54)24-36(28-38)35-18-20-37(21-19-35)56-45-12-4-3-10-41(45)42-11-7-15-50(51(42)56)57-46-13-5-1-8-39(46)40-9-2-6-14-47(40)57/h1-28H.
What are the key properties of 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile?
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 724.83 g/mol, XLogP of 12.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 146939087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).