4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile

C45H27N5 — CID 155086566

IUPAC4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2-c2cccc(-c3ccccc3-c3cc(C#N)c(C#N)cc3-n3c4ccccc4c4ccccc43)c2)C=CCC1
InChIInChI=1S/C45H27N5/c46-26-29-20-21-44-39(22-29)38-16-5-6-17-41(38)49(44)33-11-9-10-30(23-33)34-12-1-2-13-35(34)40-24-31(27-47)32(28-48)25-45(40)50-42-18-7-3-14-36(42)37-15-4-8-19-43(37)50/h1-4,6-15,17-25H,5,16H2
InChIKeyZRFHDWFLKUDECG-UHFFFAOYSA-N
MW637.75 g/mol
LogP10.64
Rot. Bonds4

About 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile

4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile (PubChem CID 155086566) has the molecular formula C45H27N5 and a molecular weight of 637.75 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
PubChem CID155086566
Molecular FormulaC45H27N5
Molecular Weight637.75 g/mol
Exact Mass637.23
IUPAC Name4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1c(n2-c2cccc(-c3ccccc3-c3cc(C#N)c(C#N)cc3-n3c4ccccc4c4ccccc43)c2)C=CCC1
InChIInChI=1S/C45H27N5/c46-26-29-20-21-44-39(22-29)38-16-5-6-17-41(38)49(44)33-11-9-10-30(23-33)34-12-1-2-13-35(34)40-24-31(27-47)32(28-48)25-45(40)50-42-18-7-3-14-36(42)37-15-4-8-19-43(37)50/h1-4,6-15,17-25H,5,16H2
InChIKeyZRFHDWFLKUDECG-UHFFFAOYSA-N
XLogP10.64
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.75
LogP ≤ 510.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]-5-(3,4-dihydrocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 167280735
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
3-(3-tert-butylcarbazol-9-yl)-5-[3-(6-tert-butyl-3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 163851325
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
CID 167280385
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
5-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 155080872
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile (CID 155086566) is 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile is N#Cc1ccc2c(c1)c1c(n2-c2cccc(-c3ccccc3-c3cc(C#N)c(C#N)cc3-n3c4ccccc4c4ccccc43)c2)C=CCC1.
What is the InChIKey of 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is ZRFHDWFLKUDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N5/c46-26-29-20-21-44-39(22-29)38-16-5-6-17-41(38)49(44)33-11-9-10-30(23-33)34-12-1-2-13-35(34)40-24-31(27-47)32(28-48)25-45(40)50-42-18-7-3-14-36(42)37-15-4-8-19-43(37)50/h1-4,6-15,17-25H,5,16H2.
What are the key properties of 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile?
4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile has a molecular weight of 637.75 g/mol, XLogP of 10.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155086566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).