3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile

C50H35N3 — CID 67949347

IUPAC3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(C#N)c5)c4)c3)c2)c1
InChIInChI=1S/C50H35N3/c1-33-20-22-49-45(24-33)46-25-34(2)21-23-50(46)53(49)44-19-9-17-41(29-44)38-14-7-16-40(27-38)43-30-47(36-11-4-3-5-12-36)52-48(31-43)42-18-8-15-39(28-42)37-13-6-10-35(26-37)32-51/h3-31H,1-2H3
InChIKeyHPKDQVNQHXBQBP-UHFFFAOYSA-N
MW677.85 g/mol
LogP13.00
Rot. Bonds6

About 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile

3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile (PubChem CID 67949347) has the molecular formula C50H35N3 and a molecular weight of 677.85 g/mol. Its IUPAC name is 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile
PubChem CID67949347
Molecular FormulaC50H35N3
Molecular Weight677.85 g/mol
Exact Mass677.28
IUPAC Name3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(C#N)c5)c4)c3)c2)c1
InChIInChI=1S/C50H35N3/c1-33-20-22-49-45(24-33)46-25-34(2)21-23-50(46)53(49)44-19-9-17-41(29-44)38-14-7-16-40(27-38)43-30-47(36-11-4-3-5-12-36)52-48(31-43)42-18-8-15-39(28-42)37-13-6-10-35(26-37)32-51/h3-31H,1-2H3
InChIKeyHPKDQVNQHXBQBP-UHFFFAOYSA-N
XLogP13.00
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.85
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 159521828
9-[3-[6-[3-(3,6-dimethylcarbazol-9-yl)phenyl]-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3,6-dimethylcarbazole;2-[3-(3,5-dimethylphenyl)phenyl]-6-phenyl-4-(4-phenylphenyl)pyridine;9-[3-[6-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 159871891
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
CID 126610495
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
3-[9-[3-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-(4-methylphenyl)carbazole
CID 71286941
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
9-[6-carbazol-9-yl-9-[4-[4-[2-(3-cyanophenyl)-6-(3-methylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole-3,6-dicarbonitrile
CID 126734604
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
4-[2-[3-[9-[4-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 118259418
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile?
The IUPAC name of 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile (CID 67949347) is 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile.
What is the SMILES notation for 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile?
The canonical SMILES for 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5cccc(C#N)c5)c4)c3)c2)c1.
What is the InChIKey of 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile?
The InChIKey is HPKDQVNQHXBQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N3/c1-33-20-22-49-45(24-33)46-25-34(2)21-23-50(46)53(49)44-19-9-17-41(29-44)38-14-7-16-40(27-38)43-30-47(36-11-4-3-5-12-36)52-48(31-43)42-18-8-15-39(28-42)37-13-6-10-35(26-37)32-51/h3-31H,1-2H3.
What are the key properties of 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile?
3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile has a molecular weight of 677.85 g/mol, XLogP of 13.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[3-[3-(3,6-dimethylcarbazol-9-yl)phenyl]phenyl]-6-phenyl-2-pyridinyl]phenyl]benzonitrile is sourced from PubChem (CID 67949347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).