3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile

C61H38N6 — CID 155427570

IUPAC3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C#N)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C61H38N6/c1-39-32-40(37-62)34-45(33-39)46-28-31-60(66-56-24-10-8-18-47(56)49-35-43(26-29-58(49)66)54-22-12-20-52(64-54)41-14-4-2-5-15-41)51(38-63)61(46)67-57-25-11-9-19-48(57)50-36-44(27-30-59(50)67)55-23-13-21-53(65-55)42-16-6-3-7-17-42/h2-36H,1H3
InChIKeyCZNBLZKHAJVXES-UHFFFAOYSA-N
MW855.02 g/mol
LogP15.06
Rot. Bonds7

About 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile

3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (PubChem CID 155427570) has the molecular formula C61H38N6 and a molecular weight of 855.02 g/mol. Its IUPAC name is 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
PubChem CID155427570
Molecular FormulaC61H38N6
Molecular Weight855.02 g/mol
Exact Mass854.32
IUPAC Name3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C#N)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1
InChIInChI=1S/C61H38N6/c1-39-32-40(37-62)34-45(33-39)46-28-31-60(66-56-24-10-8-18-47(56)49-35-43(26-29-58(49)66)54-22-12-20-52(64-54)41-14-4-2-5-15-41)51(38-63)61(46)67-57-25-11-9-19-48(57)50-36-44(27-30-59(50)67)55-23-13-21-53(65-55)42-16-6-3-7-17-42/h2-36H,1H3
InChIKeyCZNBLZKHAJVXES-UHFFFAOYSA-N
XLogP15.06
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.02
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-cyanophenyl)-2,6-bis(3-methylcarbazol-9-yl)benzonitrile
CID 142465962
3-[2,4-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-(trifluoromethyl)phenyl]benzonitrile
CID 155377839
3-(3-cyanophenyl)-2,6-bis[2-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 146238082
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-3-[2-(trifluoromethyl)phenyl]benzonitrile
CID 137386391
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155216463
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
2,6-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-3-(3-cyanophenyl)benzonitrile
CID 155377754
3-[2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544320
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-3-[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]-3,6-dimethylcarbazole
CID 137369276
3-[4,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]benzonitrile
CID 142465766
3-[3-(3-cyanophenyl)-2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenylpyrimidin-2-yl)phenyl]benzonitrile
CID 155447550

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile (CID 155427570) is 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is Cc1cc(C#N)cc(-c2ccc(-n3c4ccccc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C#N)c2-n2c3ccccc3c3cc(-c4cccc(-c5ccccc5)n4)ccc32)c1.
What is the InChIKey of 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
The InChIKey is CZNBLZKHAJVXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N6/c1-39-32-40(37-62)34-45(33-39)46-28-31-60(66-56-24-10-8-18-47(56)49-35-43(26-29-58(49)66)54-22-12-20-52(64-54)41-14-4-2-5-15-41)51(38-63)61(46)67-57-25-11-9-19-48(57)50-36-44(27-30-59(50)67)55-23-13-21-53(65-55)42-16-6-3-7-17-42/h2-36H,1H3.
What are the key properties of 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile?
3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile has a molecular weight of 855.02 g/mol, XLogP of 15.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5-methylphenyl)-2,6-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 155427570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).