4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile

C33H22N4 — CID 138666198

IUPAC4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
SMILESCC12C=CC=CC1c1ccccc1N2c1cc(C#N)c(C#N)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C33H22N4/c1-33-17-9-8-13-27(33)26-12-4-7-16-30(26)37(33)32-19-23(21-35)22(20-34)18-31(32)36-28-14-5-2-10-24(28)25-11-3-6-15-29(25)36/h2-19,27H,1H3
InChIKeyZGJWKWDEZBEJAI-UHFFFAOYSA-N
MW474.57 g/mol
LogP7.65
Rot. Bonds2

About 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile

4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile (PubChem CID 138666198) has the molecular formula C33H22N4 and a molecular weight of 474.57 g/mol. Its IUPAC name is 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
PubChem CID138666198
Molecular FormulaC33H22N4
Molecular Weight474.57 g/mol
Exact Mass474.18
IUPAC Name4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile
SMILESCC12C=CC=CC1c1ccccc1N2c1cc(C#N)c(C#N)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C33H22N4/c1-33-17-9-8-13-27(33)26-12-4-7-16-30(26)37(33)32-19-23(21-35)22(20-34)18-31(32)36-28-14-5-2-10-24(28)25-11-3-6-15-29(25)36/h2-19,27H,1H3
InChIKeyZGJWKWDEZBEJAI-UHFFFAOYSA-N
XLogP7.65
TPSA55.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9a-methyl-4aH-carbazol-9-yl)-2,5,6-tri(carbazol-9-yl)benzonitrile
CID 146520505
3-[4-(9a-methyl-4aH-carbazol-9-yl)phenyl]-4-(2-carbazol-9-yl-4-cyanophenyl)benzonitrile
CID 155085660
3-carbazol-9-yl-6-[4-[2-(6-cyano-9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155086208
9-[6-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl]carbazole
CID 118584682
12-[2-[3-(9a-methyl-4aH-carbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-a]carbazole
CID 163666254
9-[1-methyl-6-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]carbazole
CID 67374079
6-[8-(3-carbazol-9-ylphenyl)dibenzofuran-2-yl]-9a-methyl-9-phenyl-4aH-carbazole
CID 147834025
3-(9a-methyl-4aH-carbazol-9-yl)-4-(7,7-dimethylfluoreno[2,3-b][1]benzofuran-3-yl)benzonitrile
CID 126596546
19-(9a-methyl-4aH-carbazol-9-yl)-25-carbazol-9-yl-8-methyl-1-phenyl-11,16,22-trioxa-4-aza-1-silaoctacyclo[15.11.1.02,15.03,12.04,27.05,10.021,29.023,28]nonacosa-2(15),3(12),5(10),6,8,13,17(29),18,20,23,25,27-dodecaene
CID 163777928
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633
7-(9a-methyl-4aH-carbazol-9-yl)-2-carbazol-9-yl-9,9-dimethyl-3,10-dihydro-2H-acridine
CID 156533533
4,5-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505

Frequently Asked Questions

What is the IUPAC name of 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile (CID 138666198) is 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile is CC12C=CC=CC1c1ccccc1N2c1cc(C#N)c(C#N)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile?
The InChIKey is ZGJWKWDEZBEJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4/c1-33-17-9-8-13-27(33)26-12-4-7-16-30(26)37(33)32-19-23(21-35)22(20-34)18-31(32)36-28-14-5-2-10-24(28)25-11-3-6-15-29(25)36/h2-19,27H,1H3.
What are the key properties of 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile?
4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile has a molecular weight of 474.57 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9a-methyl-4aH-carbazol-9-yl)-5-carbazol-9-ylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 138666198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).