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

C53H31N7 — CID 146609194

IUPAC4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C53H31N7/c54-32-34-23-25-50(45(29-34)53-57-51(36-13-3-1-4-14-36)56-52(58-53)37-15-5-2-6-16-37)60-48-22-12-9-19-43(48)44-31-38(24-26-49(44)60)39-27-35(33-55)28-40(30-39)59-46-20-10-7-17-41(46)42-18-8-11-21-47(42)59/h1-31H
InChIKeyFPUUZDNCXJYLBJ-UHFFFAOYSA-N
MW765.88 g/mol
LogP12.48
Rot. Bonds6

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

4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 146609194) has the molecular formula C53H31N7 and a molecular weight of 765.88 g/mol. Its IUPAC name is 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID146609194
Molecular FormulaC53H31N7
Molecular Weight765.88 g/mol
Exact Mass765.26
IUPAC Name4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESN#Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C53H31N7/c54-32-34-23-25-50(45(29-34)53-57-51(36-13-3-1-4-14-36)56-52(58-53)37-15-5-2-6-16-37)60-48-22-12-9-19-43(48)44-31-38(24-26-49(44)60)39-27-35(33-55)28-40(30-39)59-46-20-10-7-17-41(46)42-18-8-11-21-47(42)59/h1-31H
InChIKeyFPUUZDNCXJYLBJ-UHFFFAOYSA-N
XLogP12.48
TPSA96.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.88
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
5-[9-[4-cyano-2-[4-[5-cyano-2-[2-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138712671
5-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155232984
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-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712675
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-carbazol-9-yl-3-[4-[2-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664743
4-[9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421119
5-[9-[2-[4-[2-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-cyanophenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138713577
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
4-[3-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-3-(2,6-difluorophenyl)benzonitrile
CID 164744005

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 146609194) is 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is N#Cc1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is FPUUZDNCXJYLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N7/c54-32-34-23-25-50(45(29-34)53-57-51(36-13-3-1-4-14-36)56-52(58-53)37-15-5-2-6-16-37)60-48-22-12-9-19-43(48)44-31-38(24-26-49(44)60)39-27-35(33-55)28-40(30-39)59-46-20-10-7-17-41(46)42-18-8-11-21-47(42)59/h1-31H.
What are the key properties of 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 765.88 g/mol, XLogP of 12.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-carbazol-9-yl-5-cyanophenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 146609194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).