2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile

C50H30N4 — CID 140903234

IUPAC2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2c(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2-c2ccccc2)c1
InChIInChI=1S/C50H30N4/c51-31-33-23-24-36(32-52)42(27-33)50-43(34-13-3-1-4-14-34)29-38(30-44(50)35-15-5-2-6-16-35)54-48-22-12-9-19-41(48)45-28-37(25-26-49(45)54)53-46-20-10-7-17-39(46)40-18-8-11-21-47(40)53/h1-30H
InChIKeyPAWGNWPFLAXTGK-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.63
Rot. Bonds5

About 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile

2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile (PubChem CID 140903234) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
PubChem CID140903234
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2c(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2-c2ccccc2)c1
InChIInChI=1S/C50H30N4/c51-31-33-23-24-36(32-52)42(27-33)50-43(34-13-3-1-4-14-34)29-38(30-44(50)35-15-5-2-6-16-35)54-48-22-12-9-19-41(48)45-28-37(25-26-49(45)54)53-46-20-10-7-17-39(46)40-18-8-11-21-47(40)53/h1-30H
InChIKeyPAWGNWPFLAXTGK-UHFFFAOYSA-N
XLogP12.63
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 154957965
9-[4-cyano-3-(4-triphenylsilylphenyl)phenyl]carbazole-3-carbonitrile
CID 148589577
9-[4-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 154958191
9-[3-[4-(2-carbazol-9-yl-3-cyanophenyl)phenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155081747
4-[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-phenylphenyl]benzonitrile
CID 138675154
9-[4-cyano-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 134513059
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
9-[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958752
4-[2-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 138708456
3-carbazol-9-yl-9-[3-(2,4,6-triphenylphenyl)phenyl]carbazole;3,6-dimethyl-9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole;9-[9-[3-(2,4,6-triphenylphenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164993566
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile (CID 140903234) is 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2c(-c3ccccc3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc2-c2ccccc2)c1.
What is the InChIKey of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile?
The InChIKey is PAWGNWPFLAXTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c51-31-33-23-24-36(32-52)42(27-33)50-43(34-13-3-1-4-14-34)29-38(30-44(50)35-15-5-2-6-16-35)54-48-22-12-9-19-41(48)45-28-37(25-26-49(45)54)53-46-20-10-7-17-39(46)40-18-8-11-21-47(40)53/h1-30H.
What are the key properties of 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile?
2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile has a molecular weight of 686.82 g/mol, XLogP of 12.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 140903234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).