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

C66H38N8 — CID 155003308

IUPAC3-[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
SMILESN#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C66H38N8/c67-39-42-27-31-54(63(35-42)74-59-26-14-12-24-53(59)56-37-46(29-33-62(56)74)51-22-10-8-20-49(51)41-69)57-38-47(66-71-64(43-15-3-1-4-16-43)70-65(72-66)44-17-5-2-6-18-44)30-34-61(57)73-58-25-13-11-23-52(58)55-36-45(28-32-60(55)73)50-21-9-7-19-48(50)40-68/h1-38H
InChIKeyFGRZVUNKWXWXOK-UHFFFAOYSA-N
MW943.09 g/mol
LogP15.68
Rot. Bonds8

About 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

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 (PubChem CID 155003308) has the molecular formula C66H38N8 and a molecular weight of 943.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID155003308
Molecular FormulaC66H38N8
Molecular Weight943.09 g/mol
Exact Mass942.32
IUPAC Name3-[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
SMILESN#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1
InChIInChI=1S/C66H38N8/c67-39-42-27-31-54(63(35-42)74-59-26-14-12-24-53(59)56-37-46(29-33-62(56)74)51-22-10-8-20-49(51)41-69)57-38-47(66-71-64(43-15-3-1-4-16-43)70-65(72-66)44-17-5-2-6-18-44)30-34-61(57)73-58-25-13-11-23-52(58)55-36-45(28-32-60(55)73)50-21-9-7-19-48(50)40-68/h1-38H
InChIKeyFGRZVUNKWXWXOK-UHFFFAOYSA-N
XLogP15.68
TPSA119.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500943.09
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603174
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]benzonitrile
CID 154603008
2-[9-[4-(2-cyanophenyl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2,4,6-tricyanophenyl)carbazol-9-yl]phenyl]phenyl]carbazol-3-yl]benzene-1,3,5-tricarbonitrile
CID 139496015
3-[2-[3-(2-cyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-[3-(2-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 154603206
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-phenylcarbazol-9-yl)phenyl]-4-(3-phenylcarbazol-9-yl)benzonitrile
CID 155003380
4-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137421031
4-[9-[2-[2-cyano-6-[3-(2,4-dicyanophenyl)carbazol-9-yl]phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003275
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
2-[3-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496163
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-4-cyanophenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155003315
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 137420750
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 166983956

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc2-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4C#N)ccc32)c1.
What is the InChIKey of 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?
The InChIKey is FGRZVUNKWXWXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N8/c67-39-42-27-31-54(63(35-42)74-59-26-14-12-24-53(59)56-37-46(29-33-62(56)74)51-22-10-8-20-49(51)41-69)57-38-47(66-71-64(43-15-3-1-4-16-43)70-65(72-66)44-17-5-2-6-18-44)30-34-61(57)73-58-25-13-11-23-52(58)55-36-45(28-32-60(55)73)50-21-9-7-19-48(50)40-68/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 943.09 g/mol, XLogP of 15.68, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155003308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).