4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile

C53H31FN6 — CID 142555961

IUPAC4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc(F)cc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C53H31FN6/c54-44-24-19-38(20-25-44)43-23-28-47(53-58-51(39-7-3-1-4-8-39)57-52(59-53)40-9-5-2-6-10-40)50(31-43)60-48-29-41(36-15-11-34(32-55)12-16-36)21-26-45(48)46-27-22-42(30-49(46)60)37-17-13-35(33-56)14-18-37/h1-31H
InChIKeyBVUDIJDIOLCSJN-UHFFFAOYSA-N
MW770.87 g/mol
LogP12.85
Rot. Bonds7

About 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile

4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile (PubChem CID 142555961) has the molecular formula C53H31FN6 and a molecular weight of 770.87 g/mol. Its IUPAC name is 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
PubChem CID142555961
Molecular FormulaC53H31FN6
Molecular Weight770.87 g/mol
Exact Mass770.26
IUPAC Name4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc(F)cc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1
InChIInChI=1S/C53H31FN6/c54-44-24-19-38(20-25-44)43-23-28-47(53-58-51(39-7-3-1-4-8-39)57-52(59-53)40-9-5-2-6-10-40)50(31-43)60-48-29-41(36-15-11-34(32-55)12-16-36)21-26-45(48)46-27-22-42(30-49(46)60)37-17-13-35(33-56)14-18-37/h1-31H
InChIKeyBVUDIJDIOLCSJN-UHFFFAOYSA-N
XLogP12.85
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.87
LogP ≤ 512.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-2,7-diphenylcarbazole
CID 142555832
4-[4-[4,6-bis[4-(4-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 170134170
3-[4-[5-cyano-2-(2,7-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138713564
3-[7-(3-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 142543876
2,7-di(carbazol-9-yl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazole
CID 138549500
5-[9-[4-(4-cyanophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 142577631
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-fluorophenyl)phenyl]carbazole-3-carbonitrile
CID 138549714
2-[6-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-3-yl]benzonitrile
CID 138549616
4-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 138549548
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(3-phenylcarbazol-9-yl)benzonitrile
CID 134476139
2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
CID 142555854

Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile (CID 142555961) is 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile is N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4cc(-c5ccc(F)cc5)ccc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.
What is the InChIKey of 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
The InChIKey is BVUDIJDIOLCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31FN6/c54-44-24-19-38(20-25-44)43-23-28-47(53-58-51(39-7-3-1-4-8-39)57-52(59-53)40-9-5-2-6-10-40)50(31-43)60-48-29-41(36-15-11-34(32-55)12-16-36)21-26-45(48)46-27-22-42(30-49(46)60)37-17-13-35(33-56)14-18-37/h1-31H.
What are the key properties of 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile has a molecular weight of 770.87 g/mol, XLogP of 12.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 142555961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).