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

C40H30N4 — CID 146409744

IUPAC4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C40H30N4/c1-24-5-10-35-30(17-24)31-18-25(2)6-11-36(31)43(35)39-14-9-28(22-41)21-34(39)29-15-16-42-23-40(29)44-37-12-7-26(3)19-32(37)33-20-27(4)8-13-38(33)44/h5-21,23H,1-4H3
InChIKeyLSQWITFUPNEWQM-UHFFFAOYSA-N
MW566.71 g/mol
LogP10.05
Rot. Bonds3

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

4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile (PubChem CID 146409744) has the molecular formula C40H30N4 and a molecular weight of 566.71 g/mol. Its IUPAC name is 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
PubChem CID146409744
Molecular FormulaC40H30N4
Molecular Weight566.71 g/mol
Exact Mass566.25
IUPAC Name4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21
InChIInChI=1S/C40H30N4/c1-24-5-10-35-30(17-24)31-18-25(2)6-11-36(31)43(35)39-14-9-28(22-41)21-34(39)29-15-16-42-23-40(29)44-37-12-7-26(3)19-32(37)33-20-27(4)8-13-38(33)44/h5-21,23H,1-4H3
InChIKeyLSQWITFUPNEWQM-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

5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409316
4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409317
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
3-carbazol-9-yl-4-(3-carbazol-9-yl-4-pyridinyl)benzonitrile
CID 139523628
5-[9-[2-[4-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409662
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
2-[9-[2-[4-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409656
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-methylphenyl]benzonitrile
CID 157473750
3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 159047347
4-[3,6-bis(N-phenylanilino)carbazol-9-yl]-3-[2-[3,6-bis(N-phenylanilino)carbazol-9-yl]-5-methylphenyl]benzonitrile
CID 135128753

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile (CID 146409744) is 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1ccncc1-n1c2ccc(C)cc2c2cc(C)ccc21.
What is the InChIKey of 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
The InChIKey is LSQWITFUPNEWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H30N4/c1-24-5-10-35-30(17-24)31-18-25(2)6-11-36(31)43(35)39-14-9-28(22-41)21-34(39)29-15-16-42-23-40(29)44-37-12-7-26(3)19-32(37)33-20-27(4)8-13-38(33)44/h5-21,23H,1-4H3.
What are the key properties of 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile?
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-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 4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146409744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).