2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile

C34H22N4 — CID 177070633

IUPAC2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILES[2H]C([2H])([2H])c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-n2c3ccccc3c3cc(C([2H])([2H])[2H])ccc32)cc1C#N
InChIInChI=1S/C34H22N4/c1-21-11-13-31-27(15-21)25-7-3-5-9-29(25)37(31)33-17-24(20-36)34(18-23(33)19-35)38-30-10-6-4-8-26(30)28-16-22(2)12-14-32(28)38/h3-18H,1-2H3/i1D3,2D3
InChIKeyWLOVVSOVSVXPGZ-WFGJKAKNSA-N
MW492.61 g/mol
LogP8.24
Rot. Bonds4

About 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile

2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile (PubChem CID 177070633) has the molecular formula C34H22N4 and a molecular weight of 492.61 g/mol. Its IUPAC name is 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
PubChem CID177070633
Molecular FormulaC34H22N4
Molecular Weight492.61 g/mol
Exact Mass492.22
IUPAC Name2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILES[2H]C([2H])([2H])c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-n2c3ccccc3c3cc(C([2H])([2H])[2H])ccc32)cc1C#N
InChIInChI=1S/C34H22N4/c1-21-11-13-31-27(15-21)25-7-3-5-9-29(25)37(31)33-17-24(20-36)34(18-23(33)19-35)38-30-10-6-4-8-26(30)28-16-22(2)12-14-32(28)38/h3-18H,1-2H3/i1D3,2D3
InChIKeyWLOVVSOVSVXPGZ-WFGJKAKNSA-N
XLogP8.24
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.61
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345
2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 175004217
3-methyl-9-[2-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 58771355
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582
2-carbazol-9-yl-4,6-bis(3,6-dimethylcarbazol-9-yl)pyrimidine-5-carbonitrile
CID 153461375
2,5-bis(3,6-dimethylcarbazol-9-yl)-4-[2-(trifluoromethyl)phenyl]benzonitrile;9-[4-(3,6-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 161455760
4-(4,6-dimethylpyrimidin-2-yl)-2-(2-methylcarbazol-9-yl)benzonitrile
CID 146699426
4-benzo[c]carbazol-7-yl-6-(3-carbazol-9-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 121329310
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 71027447
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile (CID 177070633) is 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile is [2H]C([2H])([2H])c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-n2c3ccccc3c3cc(C([2H])([2H])[2H])ccc32)cc1C#N.
What is the InChIKey of 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The InChIKey is WLOVVSOVSVXPGZ-WFGJKAKNSA-N. The full InChI is InChI=1S/C34H22N4/c1-21-11-13-31-27(15-21)25-7-3-5-9-29(25)37(31)33-17-24(20-36)34(18-23(33)19-35)38-30-10-6-4-8-26(30)28-16-22(2)12-14-32(28)38/h3-18H,1-2H3/i1D3,2D3.
What are the key properties of 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile has a molecular weight of 492.61 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 177070633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).