8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile

C33H19N5 — CID 146518088

IUPAC8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
SMILESN#CC1=CC2c3ccccc3N(c3cccc4c5cc(C#N)ccc5n(-c5ccc(C#N)cc5)c34)C2C=C1
InChIInChI=1S/C33H19N5/c34-18-21-8-12-24(13-9-21)37-30-14-10-23(20-36)17-28(30)26-5-3-7-32(33(26)37)38-29-6-2-1-4-25(29)27-16-22(19-35)11-15-31(27)38/h1-17,27,31H
InChIKeyPGQCVVRJMKONRD-UHFFFAOYSA-N
MW485.55 g/mol
LogP7.15
Rot. Bonds2

About 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile

8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile (PubChem CID 146518088) has the molecular formula C33H19N5 and a molecular weight of 485.55 g/mol. Its IUPAC name is 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
PubChem CID146518088
Molecular FormulaC33H19N5
Molecular Weight485.55 g/mol
Exact Mass485.16
IUPAC Name8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile
SMILESN#CC1=CC2c3ccccc3N(c3cccc4c5cc(C#N)ccc5n(-c5ccc(C#N)cc5)c34)C2C=C1
InChIInChI=1S/C33H19N5/c34-18-21-8-12-24(13-9-21)37-30-14-10-23(20-36)17-28(30)26-5-3-7-32(33(26)37)38-29-6-2-1-4-25(29)27-16-22(19-35)11-15-31(27)38/h1-17,27,31H
InChIKeyPGQCVVRJMKONRD-UHFFFAOYSA-N
XLogP7.15
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
8-carbazol-9-yl-9-[4-(2-carbazol-9-yl-4-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958597
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
4-[1-(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]benzonitrile
CID 145345165
8-carbazol-9-yl-9-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958159
9-[4-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 148765644
9-(9-methylcarbazol-2-yl)-4a,9a-dihydrocarbazole-2,7-dicarbonitrile
CID 146280520
5-[3-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 146339498
9-[3-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 146939087
9-[3-[3-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]-5-cyanophenyl]carbazole-3-carbonitrile
CID 154958994
8-carbazol-9-yl-9-[4-[3-cyano-4-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 154958974
9-[3-[2-(2-carbazol-9-yl-4-cyanocyclohexa-1,5-dien-1-yl)phenyl]phenyl]-4a,9a-dihydrocarbazole-3-carbonitrile
CID 155086099

Frequently Asked Questions

What is the IUPAC name of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The IUPAC name of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile (CID 146518088) is 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile.
What is the SMILES notation for 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The canonical SMILES for 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile is N#CC1=CC2c3ccccc3N(c3cccc4c5cc(C#N)ccc5n(-c5ccc(C#N)cc5)c34)C2C=C1.
What is the InChIKey of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
The InChIKey is PGQCVVRJMKONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H19N5/c34-18-21-8-12-24(13-9-21)37-30-14-10-23(20-36)17-28(30)26-5-3-7-32(33(26)37)38-29-6-2-1-4-25(29)27-16-22(19-35)11-15-31(27)38/h1-17,27,31H.
What are the key properties of 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile?
8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile has a molecular weight of 485.55 g/mol, XLogP of 7.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-cyano-4a,9a-dihydrocarbazol-9-yl)-9-(4-cyanophenyl)carbazole-3-carbonitrile is sourced from PubChem (CID 146518088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).