3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile

C44H28N4 — CID 167280385

IUPAC3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)c(-n3c4c(c5ccccc53)CCC=C4)c2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H28N4/c45-27-29-21-24-32(30-22-23-31(28-46)44(26-30)48-41-18-8-3-13-35(41)36-14-4-9-19-42(36)48)38(25-29)37-15-5-10-20-43(37)47-39-16-6-1-11-33(39)34-12-2-7-17-40(34)47/h1-3,5-13,15-26H,4,14H2
InChIKeyFOFPKVCMNLSIRC-UHFFFAOYSA-N
MW612.74 g/mol
LogP10.76
Rot. Bonds4

About 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile

3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile (PubChem CID 167280385) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
PubChem CID167280385
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C#N)c(-n3c4c(c5ccccc53)CCC=C4)c2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C44H28N4/c45-27-29-21-24-32(30-22-23-31(28-46)44(26-30)48-41-18-8-3-13-35(41)36-14-4-9-19-42(36)48)38(25-29)37-15-5-10-20-43(37)47-39-16-6-1-11-33(39)34-12-2-7-17-40(34)47/h1-3,5-13,15-26H,4,14H2
InChIKeyFOFPKVCMNLSIRC-UHFFFAOYSA-N
XLogP10.76
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
5-[2-cyano-5-[2-[2-(2-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]-8H-cyclohepta[b]indole-9-carbonitrile
CID 155086606
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]cyclohexa-1,3-dien-1-yl]-5,6-dihydrocarbazole-4-carbonitrile
CID 155086115
4-[3-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]-5-(3,4-dihydrocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 167280735
4-carbazol-9-yl-5-[2-[3-(6-cyano-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]benzene-1,2-dicarbonitrile
CID 155086566
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[5-[2-(2-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 154958901
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
5-[2,4,5-tri(carbazol-9-yl)-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 145186417
2-carbazol-9-yl-4-[2-(2-carbazol-9-ylphenyl)-4-isocyanophenyl]benzonitrile
CID 155604302

Frequently Asked Questions

What is the IUPAC name of 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile?
The IUPAC name of 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile (CID 167280385) is 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile?
The canonical SMILES for 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C#N)c(-n3c4c(c5ccccc53)CCC=C4)c2)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile?
The InChIKey is FOFPKVCMNLSIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c45-27-29-21-24-32(30-22-23-31(28-46)44(26-30)48-41-18-8-3-13-35(41)36-14-4-9-19-42(36)48)38(25-29)37-15-5-10-20-43(37)47-39-16-6-1-11-33(39)34-12-2-7-17-40(34)47/h1-3,5-13,15-26H,4,14H2.
What are the key properties of 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile?
3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile has a molecular weight of 612.74 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-carbazol-9-ylphenyl)-4-[4-cyano-3-(3,4-dihydrocarbazol-9-yl)phenyl]benzonitrile is sourced from PubChem (CID 167280385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).