2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile

C45H25N5 — CID 155080582

IUPAC2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-21-22-44-39(23-29)37-16-6-10-20-43(37)49(44)40-17-7-3-13-34(40)32-11-1-2-12-33(32)38-24-31(28-48)45(25-30(38)27-47)50-41-18-8-4-14-35(41)36-15-5-9-19-42(36)50/h1-25H
InChIKeyJQNUUWQQCKFMTD-UHFFFAOYSA-N
MW635.73 g/mol
LogP10.83
Rot. Bonds4

About 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile

2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile (PubChem CID 155080582) has the molecular formula C45H25N5 and a molecular weight of 635.73 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
PubChem CID155080582
Molecular FormulaC45H25N5
Molecular Weight635.73 g/mol
Exact Mass635.21
IUPAC Name2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C#N
InChIInChI=1S/C45H25N5/c46-26-29-21-22-44-39(23-29)37-16-6-10-20-43(37)49(44)40-17-7-3-13-34(40)32-11-1-2-12-33(32)38-24-31(28-48)45(25-30(38)27-47)50-41-18-8-4-14-35(41)36-15-5-9-19-42(36)50/h1-25H
InChIKeyJQNUUWQQCKFMTD-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

2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146
9-[2-[2-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155080141
9-[3-cyano-4-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080021
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077
4-(2-carbazol-9-ylphenyl)-5-[4-(3-cyanocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 155081493
9-[2-[2-(4-cyano-3-pyridinyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 146542601
9-[2-[4-(3-carbazol-9-yl-2-cyanophenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155080288
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081374
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 155080883
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[4-[4-(2-carbazol-9-ylphenyl)-3-cyanophenyl]-3-cyanophenyl]carbazole-3-carbonitrile
CID 155081602

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile (CID 155080582) is 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile is N#Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1-c1ccccc1-c1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1C#N.
What is the InChIKey of 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile?
The InChIKey is JQNUUWQQCKFMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5/c46-26-29-21-22-44-39(23-29)37-16-6-10-20-43(37)49(44)40-17-7-3-13-34(40)32-11-1-2-12-33(32)38-24-31(28-48)45(25-30(38)27-47)50-41-18-8-4-14-35(41)36-15-5-9-19-42(36)50/h1-25H.
What are the key properties of 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile?
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-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 2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 155080582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).