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

C64H34N8 — CID 146409611

IUPAC4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ccncc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C64H34N8/c65-34-40-17-22-59(71-60-23-18-41(49-13-5-1-9-45(49)35-66)30-55(60)56-31-42(19-24-61(56)71)50-14-6-2-10-46(50)36-67)54(29-40)53-27-28-70-39-64(53)72-62-25-20-43(51-15-7-3-11-47(51)37-68)32-57(62)58-33-44(21-26-63(58)72)52-16-8-4-12-48(52)38-69/h1-33,39H
InChIKeyPRTNUJFKXNBKMR-UHFFFAOYSA-N
MW915.03 g/mol
LogP14.97
Rot. Bonds7

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

4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146409611) 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-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146409611
Molecular FormulaC64H34N8
Molecular Weight915.03 g/mol
Exact Mass914.29
IUPAC Name4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ccncc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C64H34N8/c65-34-40-17-22-59(71-60-23-18-41(49-13-5-1-9-45(49)35-66)30-55(60)56-31-42(19-24-61(56)71)50-14-6-2-10-46(50)36-67)54(29-40)53-27-28-70-39-64(53)72-62-25-20-43(51-15-7-3-11-47(51)37-68)32-57(62)58-33-44(21-26-63(58)72)52-16-8-4-12-48(52)38-69/h1-33,39H
InChIKeyPRTNUJFKXNBKMR-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

2-[9-[2-[3-[3,6-bis(2,4,6-tricyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(2,4,6-tricyanophenyl)carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 146409317
3-[3-(2-cyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 142495084
4-[9-[5-cyano-2-[3-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409434
5-[9-[2-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146409316
4-[3-(3,5-dimethylphenyl)carbazol-9-yl]-3-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409327
3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-[4-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-3-pyridinyl]benzonitrile
CID 153455519
4-(3,6-dimethylcarbazol-9-yl)-3-[3-(3,6-dimethylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146409744
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 146409485
2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
CID 153366425
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[3-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146409764
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-[4-[2-[3,6-bis(3-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-pyridinyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;2-[9-[2-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-pyridinyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 159348703

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146409611) is 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c(-c2ccncc2-n2c3ccc(-c4ccccc4C#N)cc3c3cc(-c4ccccc4C#N)ccc32)c1.
What is the InChIKey of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is PRTNUJFKXNBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H34N8/c65-34-40-17-22-59(71-60-23-18-41(49-13-5-1-9-45(49)35-66)30-55(60)56-31-42(19-24-61(56)71)50-14-6-2-10-46(50)36-67)54(29-40)53-27-28-70-39-64(53)72-62-25-20-43(51-15-7-3-11-47(51)37-68)32-57(62)58-33-44(21-26-63(58)72)52-16-8-4-12-48(52)38-69/h1-33,39H.
What are the key properties of 4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
4-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-3-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-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-[3-[3,6-bis(2-cyanophenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146409611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).