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

C40H30N4 — CID 159122987

IUPAC3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1cccc2c1c1c(C)cccc1n2-c1cncc(-n2c3cccc(C)c3c3c(C)cccc32)c1-c1cccc(C#N)c1
InChIInChI=1S/C40H30N4/c1-24-10-5-16-30-36(24)37-25(2)11-6-17-31(37)43(30)34-22-42-23-35(40(34)29-15-9-14-28(20-29)21-41)44-32-18-7-12-26(3)38(32)39-27(4)13-8-19-33(39)44/h5-20,22-23H,1-4H3
InChIKeyGDYGYWMCKRXNAP-UHFFFAOYSA-N
MW566.71 g/mol
LogP10.05
Rot. Bonds3

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

3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 159122987) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID159122987
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1cccc2c1c1c(C)cccc1n2-c1cncc(-n2c3cccc(C)c3c3c(C)cccc32)c1-c1cccc(C#N)c1
InChIInChI=1S/C40H30N4/c1-24-10-5-16-30-36(24)37-25(2)11-6-17-31(37)43(30)34-22-42-23-35(40(34)29-15-9-14-28(20-29)21-41)44-32-18-7-12-26(3)38(32)39-27(4)13-8-19-33(39)44/h5-20,22-23H,1-4H3
InChIKeyGDYGYWMCKRXNAP-UHFFFAOYSA-N
XLogP10.05
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.71
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanophenyl)-2,6-bis(4,5-dimethylcarbazol-9-yl)benzonitrile
CID 158776967
3-[3,5-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544351
3-[4,5-bis(4,5-dimethylcarbazol-9-yl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 160844711
3-[3,5-bis[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544144
3-[3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 161042465
3-[3,5-bis[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544391
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146546484
3-[3-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-[3-[4-[2-[4-[9-[5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(2,4-dimethylphenyl)carbazol-2-yl]-3-methylphenyl]ethyl]-2-methylphenyl]-6-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146546423
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
3-[3-[3-[3-[[4-[9-[5-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)-3-pyridinyl]-7-(3,5-dimethylphenyl)carbazol-2-yl]-2,6-dimethylphenyl]methyl]-5-methylphenyl]carbazol-9-yl]-5-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543848
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 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 159122987) is 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile is Cc1cccc2c1c1c(C)cccc1n2-c1cncc(-n2c3cccc(C)c3c3c(C)cccc32)c1-c1cccc(C#N)c1.
What is the InChIKey of 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is GDYGYWMCKRXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-24-10-5-16-30-36(24)37-25(2)11-6-17-31(37)43(30)34-22-42-23-35(40(34)29-15-9-14-28(20-29)21-41)44-32-18-7-12-26(3)38(32)39-27(4)13-8-19-33(39)44/h5-20,22-23H,1-4H3.
What are the key properties of 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile has a molecular weight of 566.71 g/mol, XLogP of 10.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(4,5-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 159122987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).