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

C50H34N4 — CID 146544354

IUPAC4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccc(C#N)cc2)c1
InChIInChI=1S/C50H34N4/c1-32-9-7-11-36(25-32)38-21-23-46-42(27-38)40-13-3-5-15-44(40)53(46)48-30-52-31-49(50(48)35-19-17-34(29-51)18-20-35)54-45-16-6-4-14-41(45)43-28-39(22-24-47(43)54)37-12-8-10-33(2)26-37/h3-28,30-31H,1-2H3
InChIKeyYXDNUFUXZXFLBG-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.77
Rot. Bonds5

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

4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544354) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544354
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccc(C#N)cc2)c1
InChIInChI=1S/C50H34N4/c1-32-9-7-11-36(25-32)38-21-23-46-42(27-38)40-13-3-5-15-44(40)53(46)48-30-52-31-49(50(48)35-19-17-34(29-51)18-20-35)54-45-16-6-4-14-41(45)43-28-39(22-24-47(43)54)37-12-8-10-33(2)26-37/h3-28,30-31H,1-2H3
InChIKeyYXDNUFUXZXFLBG-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

4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738
4-[3,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis(2,7-diphenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(2-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile;4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 159435033
3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465
4-[3,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile;4-[3,5-bis[2-(4-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 160846267
4-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544365
4-[3,5-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544200
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
4-[3,5-bis[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609731
3-[3-[2-(4-cyanophenyl)carbazol-9-yl]-5-[2-(4-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153486386

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544354) is 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is YXDNUFUXZXFLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-32-9-7-11-36(25-32)38-21-23-46-42(27-38)40-13-3-5-15-44(40)53(46)48-30-52-31-49(50(48)35-19-17-34(29-51)18-20-35)54-45-16-6-4-14-41(45)43-28-39(22-24-47(43)54)37-12-8-10-33(2)26-37/h3-28,30-31H,1-2H3.
What are the key properties of 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[3,5-bis[3-(3-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 4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).