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

C45H25N5 — CID 155081631

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

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

3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile (PubChem CID 155081631) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
PubChem CID155081631
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(C#N)c(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C45H25N5/c46-26-29-20-23-44-38(24-29)36-15-4-8-19-43(36)50(44)42-18-7-3-14-35(42)37-22-21-31(27-47)39(28-48)45(37)30-10-9-11-32(25-30)49-40-16-5-1-12-33(40)34-13-2-6-17-41(34)49/h1-25H
InChIKeyPADNKFVYEWMAEH-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

4-(2-carbazol-9-ylphenyl)-2-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 155604943
3-[2-(3-carbazol-9-ylphenyl)phenyl]-4-(3-cyanocarbazol-9-yl)benzene-1,2-dicarbonitrile
CID 155081614
2-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,4-dicarbonitrile
CID 155080920
9-[2-[3-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155081646
9-[3-[2-(2-carbazol-9-ylphenyl)-6-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080179
9-[2-[2-(3-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081621
4-(2-carbazol-9-ylphenyl)-2-(3-carbazol-9-ylphenyl)benzene-1,3-dicarbonitrile
CID 155079862
3-(2-carbazol-9-ylphenyl)-4-(3-carbazol-9-ylphenyl)benzene-1,2-dicarbonitrile
CID 155079600
5-(2-carbazol-9-ylphenyl)-3-[3-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081736
9-[2-[4-cyano-2-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081656
9-[2-[2-cyano-5-[3-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155081162
9-[2-[5-(3-carbazol-9-ylphenyl)-2-cyanophenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155080273

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile (CID 155081631) is 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccc(C#N)c(C#N)c1-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
The InChIKey is PADNKFVYEWMAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-20-23-44-38(24-29)36-15-4-8-19-43(36)50(44)42-18-7-3-14-35(42)37-22-21-31(27-47)39(28-48)45(37)30-10-9-11-32(25-30)49-40-16-5-1-12-33(40)34-13-2-6-17-41(34)49/h1-25H.
What are the key properties of 3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile?
3-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]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-(3-carbazol-9-ylphenyl)-4-[2-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155081631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).