5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

C58H30N8 — CID 155216463

IUPAC5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1
InChIInChI=1S/C58H30N8/c59-31-36-21-37(32-60)24-43(23-36)41-17-19-55-48(27-41)46-11-4-6-15-53(46)65(55)57-30-50(52-14-8-13-51(64-52)40-9-2-1-3-10-40)58(29-45(57)35-63)66-54-16-7-5-12-47(54)49-28-42(18-20-56(49)66)44-25-38(33-61)22-39(26-44)34-62/h1-30H
InChIKeyZDYCWXANEFTMIQ-UHFFFAOYSA-N
MW838.93 g/mol
LogP13.30
Rot. Bonds6

About 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile

5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155216463) has the molecular formula C58H30N8 and a molecular weight of 838.93 g/mol. Its IUPAC name is 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID155216463
Molecular FormulaC58H30N8
Molecular Weight838.93 g/mol
Exact Mass838.26
IUPAC Name5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1
InChIInChI=1S/C58H30N8/c59-31-36-21-37(32-60)24-43(23-36)41-17-19-55-48(27-41)46-11-4-6-15-53(46)65(55)57-30-50(52-14-8-13-51(64-52)40-9-2-1-3-10-40)58(29-45(57)35-63)66-54-16-7-5-12-47(54)49-28-42(18-20-56(49)66)44-25-38(33-61)22-39(26-44)34-62/h1-30H
InChIKeyZDYCWXANEFTMIQ-UHFFFAOYSA-N
XLogP13.30
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.93
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216461
4-[3-cyano-5-(trifluoromethyl)phenyl]-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 137386762
4,5-bis[2-(4-cyanophenyl)carbazol-9-yl]-2-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216774
2,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419759
2,5-bis(3,6-diphenylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139420018
4-(3-isocyanophenyl)-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155647013
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138729285
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
9-[4-(3-cyanocarbazol-9-yl)-2-(6-phenyl-2-pyridinyl)-5-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 155216680
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155217684

Frequently Asked Questions

What is the IUPAC name of 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155216463) is 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1.
What is the InChIKey of 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is ZDYCWXANEFTMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H30N8/c59-31-36-21-37(32-60)24-43(23-36)41-17-19-55-48(27-41)46-11-4-6-15-53(46)65(55)57-30-50(52-14-8-13-51(64-52)40-9-2-1-3-10-40)58(29-45(57)35-63)66-54-16-7-5-12-47(54)49-28-42(18-20-56(49)66)44-25-38(33-61)22-39(26-44)34-62/h1-30H.
What are the key properties of 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile?
5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 838.93 g/mol, XLogP of 13.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[2-cyano-4-[3-(3,5-dicyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155216463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).