4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

C64H34N8 — CID 146409384

IUPAC4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1
InChIInChI=1S/C64H34N8/c65-34-40-5-1-9-44(25-40)48-14-19-60-55(29-48)56-30-49(45-10-2-6-41(26-45)35-66)15-20-61(56)71(60)53-18-13-52(38-69)54(33-53)59-39-70-24-23-64(59)72-62-21-16-50(46-11-3-7-42(27-46)36-67)31-57(62)58-32-51(17-22-63(58)72)47-12-4-8-43(28-47)37-68/h1-33,39H
InChIKeyQJIJLQSNRJZQJY-UHFFFAOYSA-N
MW915.03 g/mol
LogP14.97
Rot. Bonds7

About 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile

4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (PubChem CID 146409384) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
PubChem CID146409384
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1
InChIInChI=1S/C64H34N8/c65-34-40-5-1-9-44(25-40)48-14-19-60-55(29-48)56-30-49(45-10-2-6-41(26-45)35-66)15-20-61(56)71(60)53-18-13-52(38-69)54(33-53)59-39-70-24-23-64(59)72-62-21-16-50(46-11-3-7-42(27-46)36-67)31-57(62)58-32-51(17-22-63(58)72)47-12-4-8-43(28-47)37-68/h1-33,39H
InChIKeyQJIJLQSNRJZQJY-UHFFFAOYSA-N
XLogP14.97
TPSA141.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.03
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 146409650
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003372
4-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-3-pyridinyl]benzonitrile
CID 146409612
4-[3-(3-cyanophenyl)carbazol-9-yl]-2-[2-[3-(3-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003450
5-[9-[2-[4-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409662
2-[9-[2-[4-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409656
3-[9-[3-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 156679314
5-[9-[3-[4-[3,6-bis(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyano-5-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile;5-[9-[3-[4-[3-(3-cyano-5-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 160703568
2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170664965
3-[9-[3-[2-[3-(3-cyanophenyl)carbazol-9-yl]-4-(trifluoromethyl)phenyl]-4-pyridinyl]carbazol-3-yl]benzonitrile
CID 162614131
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139496142

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile (CID 146409384) is 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is N#Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(C#N)c4)ccc2n3-c2ccc(C#N)c(-c3cnccc3-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)c2)c1.
What is the InChIKey of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
The InChIKey is QJIJLQSNRJZQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-34-40-5-1-9-44(25-40)48-14-19-60-55(29-48)56-30-49(45-10-2-6-41(26-45)35-66)15-20-61(56)71(60)53-18-13-52(38-69)54(33-53)59-39-70-24-23-64(59)72-62-21-16-50(46-11-3-7-42(27-46)36-67)31-57(62)58-32-51(17-22-63(58)72)47-12-4-8-43(28-47)37-68/h1-33,39H.
What are the key properties of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile?
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile has a molecular weight of 915.03 g/mol, XLogP of 14.97, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-[4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 146409384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).