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

C45H25N5 — CID 155081614

IUPAC3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(C#N)c1-c1ccccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-20-22-43-38(24-29)36-15-5-8-19-42(36)50(43)44-23-21-31(27-47)39(28-48)45(44)37-16-2-1-12-33(37)30-10-9-11-32(25-30)49-40-17-6-3-13-34(40)35-14-4-7-18-41(35)49/h1-25H
InChIKeySXKZOCMWOZSPDM-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

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

3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile (PubChem CID 155081614) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
PubChem CID155081614
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(C#N)c1-c1ccccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-20-22-43-38(24-29)36-15-5-8-19-42(36)50(43)44-23-21-31(27-47)39(28-48)45(44)37-16-2-1-12-33(37)30-10-9-11-32(25-30)49-40-17-6-3-13-34(40)35-14-4-7-18-41(35)49/h1-25H
InChIKeySXKZOCMWOZSPDM-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

3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081631
4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
9-[2-[3-(3-carbazol-9-ylphenyl)-2-cyanophenyl]-4-cyanophenyl]carbazole-3-carbonitrile
CID 155080249
3-[3-(4-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081553
9-[2-[2-(3-carbazol-9-ylphenyl)-4-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081062
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920
9-[2-[2-(3-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-3,5-dicarbonitrile
CID 155080977
9-[3-[2-(2-carbazol-9-yl-5-cyanophenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080892
5-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081736
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
9-[3-[2-[5-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080904
9-[3-[3-(2-carbazol-9-yl-6-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155604722

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile (CID 155081614) is 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)c(C#N)c1-c1ccccc1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
The InChIKey is SXKZOCMWOZSPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-20-22-43-38(24-29)36-15-5-8-19-42(36)50(43)44-23-21-31(27-47)39(28-48)45(44)37-16-2-1-12-33(37)30-10-9-11-32(25-30)49-40-17-6-3-13-34(40)35-14-4-7-18-41(35)49/h1-25H.
What are the key properties of 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile?
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-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 3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155081614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).