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

C64H34N8 — CID 146409485

IUPAC4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5C#N)ccc43)ccn2)c1
InChIInChI=1S/C64H34N8/c65-35-40-17-22-64(72-62-25-20-43(52-15-7-3-11-47(52)38-68)32-56(62)57-33-44(21-26-63(57)72)53-16-8-4-12-48(53)39-69)58(29-40)59-34-49(27-28-70-59)71-60-23-18-41(50-13-5-1-9-45(50)36-66)30-54(60)55-31-42(19-24-61(55)71)51-14-6-2-10-46(51)37-67/h1-34H
InChIKeyYFNFRIXRROFIRU-UHFFFAOYSA-N
MW915.03 g/mol
LogP14.97
Rot. Bonds7

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

4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (PubChem CID 146409485) has the molecular formula C64H34N8 and a molecular weight of 915.03 g/mol. Its IUPAC name is 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
PubChem CID146409485
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5C#N)ccc43)ccn2)c1
InChIInChI=1S/C64H34N8/c65-35-40-17-22-64(72-62-25-20-43(52-15-7-3-11-47(52)38-68)32-56(62)57-33-44(21-26-63(57)72)53-16-8-4-12-48(53)39-69)58(29-40)59-34-49(27-28-70-59)71-60-23-18-41(50-13-5-1-9-45(50)36-66)30-54(60)55-31-42(19-24-61(55)71)51-14-6-2-10-46(51)37-67/h1-34H
InChIKeyYFNFRIXRROFIRU-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-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409611
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 146409769
4-[3-(2-cyanophenyl)carbazol-9-yl]-3-[5-[3-(2-cyanophenyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003298
4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
2-[9-[2-[2-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-5-[4-[3-[6-[3,5-bis(trifluoromethyl)phenyl]-9-[2-[4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-4-pyridinyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 137383621
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
2-[9-[2-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]phenyl]-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(2-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155462902
4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)-2-pyridinyl]benzonitrile
CID 142495082
3-[2-[2,6-bis(trifluoromethyl)phenyl]-5-[3-(2-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138500039
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003308

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile (CID 146409485) is 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2cc(-n3c4ccc(-c5ccccc5C#N)cc4c4cc(-c5ccccc5C#N)ccc43)ccn2)c1.
What is the InChIKey of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
The InChIKey is YFNFRIXRROFIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-35-40-17-22-64(72-62-25-20-43(52-15-7-3-11-47(52)38-68)32-56(62)57-33-44(21-26-63(57)72)53-16-8-4-12-48(53)39-69)58(29-40)59-34-49(27-28-70-59)71-60-23-18-41(50-13-5-1-9-45(50)36-66)30-54(60)55-31-42(19-24-61(55)71)51-14-6-2-10-46(51)37-67/h1-34H.
What are the key properties of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile?
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-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(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 146409485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).