9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile

C45H30N4 — CID 155086047

IUPAC9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile
SMILESCC1CC=Cc2c1c1ccc(C#N)cc1n2-c1ccc(C#N)cc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H30N4/c1-29-8-6-15-43-45(29)38-22-16-31(28-47)25-44(38)49(43)42-23-17-30(27-46)24-39(42)33-20-18-32(19-21-33)34-9-7-10-35(26-34)48-40-13-4-2-11-36(40)37-12-3-5-14-41(37)48/h2-7,9-26,29H,8H2,1H3
InChIKeyFJGPWEATZNWPOZ-UHFFFAOYSA-N
MW626.76 g/mol
LogP11.33
Rot. Bonds4

About 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile

9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile (PubChem CID 155086047) has the molecular formula C45H30N4 and a molecular weight of 626.76 g/mol. Its IUPAC name is 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile.

Molecular Properties

Compound Name9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile
PubChem CID155086047
Molecular FormulaC45H30N4
Molecular Weight626.76 g/mol
Exact Mass626.25
IUPAC Name9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile
SMILESCC1CC=Cc2c1c1ccc(C#N)cc1n2-c1ccc(C#N)cc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C45H30N4/c1-29-8-6-15-43-45(29)38-22-16-31(28-47)25-44(38)49(43)42-23-17-30(27-46)24-39(42)33-20-18-32(19-21-33)34-9-7-10-35(26-34)48-40-13-4-2-11-36(40)37-12-3-5-14-41(37)48/h2-7,9-26,29H,8H2,1H3
InChIKeyFJGPWEATZNWPOZ-UHFFFAOYSA-N
XLogP11.33
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.76
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155079719
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]carbazole-2-carbonitrile
CID 155080742
9-[3-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)-3-methylcyclohexa-1,5-dien-1-yl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086189
9-[4-[4-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081041
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[4-[2-(2-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 147841230
3-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(10-phenylanthracen-9-yl)benzonitrile
CID 167336584
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
9-[3-[2-(2-carbazol-9-ylphenyl)-5-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081672
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
4-[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164743981
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155081617

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile?
The IUPAC name of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile (CID 155086047) is 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile.
What is the SMILES notation for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile?
The canonical SMILES for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile is CC1CC=Cc2c1c1ccc(C#N)cc1n2-c1ccc(C#N)cc1-c1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile?
The InChIKey is FJGPWEATZNWPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N4/c1-29-8-6-15-43-45(29)38-22-16-31(28-47)25-44(38)49(43)42-23-17-30(27-46)24-39(42)33-20-18-32(19-21-33)34-9-7-10-35(26-34)48-40-13-4-2-11-36(40)37-12-3-5-14-41(37)48/h2-7,9-26,29H,8H2,1H3.
What are the key properties of 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile?
9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile has a molecular weight of 626.76 g/mol, XLogP of 11.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(3-carbazol-9-ylphenyl)phenyl]-4-cyanophenyl]-5-methyl-5,6-dihydrocarbazole-2-carbonitrile is sourced from PubChem (CID 155086047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).