4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile

C45H25N5 — CID 155604429

IUPAC4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)c1C#N
InChIInChI=1S/C45H25N5/c46-26-29-20-23-44-38(24-29)37-15-4-8-19-43(37)50(44)45-32(27-47)21-22-33(39(45)28-48)30-10-9-11-31(25-30)34-12-1-5-16-40(34)49-41-17-6-2-13-35(41)36-14-3-7-18-42(36)49/h1-25H
InChIKeyBPYLOQISEAIXSS-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile

4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile (PubChem CID 155604429) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
PubChem CID155604429
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)c1C#N
InChIInChI=1S/C45H25N5/c46-26-29-20-23-44-38(24-29)37-15-4-8-19-43(37)50(44)45-32(27-47)21-22-33(39(45)28-48)30-10-9-11-31(25-30)34-12-1-5-16-40(34)49-41-17-6-2-13-35(41)36-14-3-7-18-42(36)49/h1-25H
InChIKeyBPYLOQISEAIXSS-UHFFFAOYSA-N
XLogP10.83
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
9-[2-cyano-3-[3-[2-(4-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 155086420
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604722
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081631

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile (CID 155604429) is 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1c(C#N)ccc(-c2cccc(-c3ccccc3-n3c4ccccc4c4ccccc43)c2)c1C#N.
What is the InChIKey of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile?
The InChIKey is BPYLOQISEAIXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-20-23-44-38(24-29)37-15-4-8-19-43(37)50(44)45-32(27-47)21-22-33(39(45)28-48)30-10-9-11-31(25-30)34-12-1-5-16-40(34)49-41-17-6-2-13-35(41)36-14-3-7-18-42(36)49/h1-25H.
What are the key properties of 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile?
4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile has a molecular weight of 635.73 g/mol, XLogP of 10.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-(3-cyanocarbazol-9-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155604429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).