2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C50H34N4 — CID 142452378

IUPAC2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cncc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1-c1ccccc1C#N
InChIInChI=1S/C50H34N4/c1-32-13-3-6-16-37(32)34-23-25-46-42(27-34)40-19-9-11-21-44(40)53(46)48-30-52-31-49(50(48)39-18-8-5-15-36(39)29-51)54-45-22-12-10-20-41(45)43-28-35(24-26-47(43)54)38-17-7-4-14-33(38)2/h3-28,30-31H,1-2H3
InChIKeyBHOWCNVYXKMYFZ-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.77
Rot. Bonds5

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

2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 142452378) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID142452378
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cncc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1-c1ccccc1C#N
InChIInChI=1S/C50H34N4/c1-32-13-3-6-16-37(32)34-23-25-46-42(27-34)40-19-9-11-21-44(40)53(46)48-30-52-31-49(50(48)39-18-8-5-15-36(39)29-51)54-45-22-12-10-20-41(45)43-28-35(24-26-47(43)54)38-17-7-4-14-33(38)2/h3-28,30-31H,1-2H3
InChIKeyBHOWCNVYXKMYFZ-UHFFFAOYSA-N
XLogP12.77
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
2-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544225
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146544402
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138729658
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 155217558
2-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153248796
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
2-[3,5-bis[2-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609734
2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
CID 153366425
2-[2-[3,5-bis(trifluoromethyl)phenyl]-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499635

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 142452378) is 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1cncc(-n2c3ccccc3c3cc(-c4ccccc4C)ccc32)c1-c1ccccc1C#N.
What is the InChIKey of 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is BHOWCNVYXKMYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-32-13-3-6-16-37(32)34-23-25-46-42(27-34)40-19-9-11-21-44(40)53(46)48-30-52-31-49(50(48)39-18-8-5-15-36(39)29-51)54-45-22-12-10-20-41(45)43-28-35(24-26-47(43)54)38-17-7-4-14-33(38)2/h3-28,30-31H,1-2H3.
What are the key properties of 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 690.85 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 142452378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).