3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile

C59H35N7 — CID 166983956

IUPAC3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C59H35N7/c60-36-38-23-30-56(65-54-31-28-43(39-13-3-1-4-14-39)34-49(54)50-35-44(29-32-55(50)65)40-15-5-2-6-16-40)51(33-38)58-62-57(42-26-24-41(25-27-42)46-18-8-7-17-45(46)37-61)63-59(64-58)66-52-21-11-9-19-47(52)48-20-10-12-22-53(48)66/h1-35H
InChIKeyDHMDNHYYODOEES-UHFFFAOYSA-N
MW841.98 g/mol
LogP14.14
Rot. Bonds7

About 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile

3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile (PubChem CID 166983956) has the molecular formula C59H35N7 and a molecular weight of 841.98 g/mol. Its IUPAC name is 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
PubChem CID166983956
Molecular FormulaC59H35N7
Molecular Weight841.98 g/mol
Exact Mass841.30
IUPAC Name3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc(-n3c4ccccc4c4ccccc43)n2)c1
InChIInChI=1S/C59H35N7/c60-36-38-23-30-56(65-54-31-28-43(39-13-3-1-4-14-39)34-49(54)50-35-44(29-32-55(50)65)40-15-5-2-6-16-40)51(33-38)58-62-57(42-26-24-41(25-27-42)46-18-8-7-17-45(46)37-61)63-59(64-58)66-52-21-11-9-19-47(52)48-20-10-12-22-53(48)66/h1-35H
InChIKeyDHMDNHYYODOEES-UHFFFAOYSA-N
XLogP14.14
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.98
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)benzonitrile
CID 170445850
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
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
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
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
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(5-phenylpyrimidin-2-yl)carbazol-9-yl]benzonitrile
CID 164744322
5-[2-[3-[4-carbazol-9-yl-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-5-cyanophenyl]benzene-1,3-dicarbonitrile
CID 164743999
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
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-[5-cyano-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138713139

Frequently Asked Questions

What is the IUPAC name of 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 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) is 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c(-c2nc(-c3ccc(-c4ccccc4C#N)cc3)nc(-n3c4ccccc4c4ccccc43)n2)c1.
What is the InChIKey of 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
The InChIKey is DHMDNHYYODOEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N7/c60-36-38-23-30-56(65-54-31-28-43(39-13-3-1-4-14-39)34-49(54)50-35-44(29-32-55(50)65)40-15-5-2-6-16-40)51(33-38)58-62-57(42-26-24-41(25-27-42)46-18-8-7-17-45(46)37-61)63-59(64-58)66-52-21-11-9-19-47(52)48-20-10-12-22-53(48)66/h1-35H.
What are the key properties of 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile?
3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile has a molecular weight of 841.98 g/mol, XLogP of 14.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-carbazol-9-yl-6-[4-(2-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 166983956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).