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

C46H28FN5 — CID 142555854

IUPAC2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccc(F)cc3)c2c1
InChIInChI=1S/C46H28FN5/c47-36-23-19-30(20-24-36)38-25-22-34(46-50-44(31-11-3-1-4-12-31)49-45(51-46)32-13-5-2-6-14-32)28-42(38)52-41-18-10-9-17-39(41)40-26-21-33(27-43(40)52)37-16-8-7-15-35(37)29-48/h1-28H
InChIKeyVJKUEVHWASXBHX-UHFFFAOYSA-N
MW669.76 g/mol
LogP11.31
Rot. Bonds6

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

2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile (PubChem CID 142555854) has the molecular formula C46H28FN5 and a molecular weight of 669.76 g/mol. Its IUPAC name is 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
PubChem CID142555854
Molecular FormulaC46H28FN5
Molecular Weight669.76 g/mol
Exact Mass669.23
IUPAC Name2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccc(F)cc3)c2c1
InChIInChI=1S/C46H28FN5/c47-36-23-19-30(20-24-36)38-25-22-34(46-50-44(31-11-3-1-4-12-31)49-45(51-46)32-13-5-2-6-14-32)28-42(38)52-41-18-10-9-17-39(41)40-26-21-33(27-43(40)52)37-16-8-7-15-35(37)29-48/h1-28H
InChIKeyVJKUEVHWASXBHX-UHFFFAOYSA-N
XLogP11.31
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.76
LogP ≤ 511.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]-2,7-diphenylcarbazole
CID 142555832
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137421152
2-[7-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 155232570
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
2-[4-[2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 147847714
2-tert-butyl-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazole
CID 142555860
4-[4-[4-(2-cyanophenyl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170664720
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
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-[3-(4-phenylphenyl)phenyl]carbazole
CID 170539148
2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 157118113
4-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(3-fluorophenyl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 142555837

Frequently Asked Questions

What is the IUPAC name of 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile (CID 142555854) is 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile is N#Cc1ccccc1-c1ccc2c3ccccc3n(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccc(F)cc3)c2c1.
What is the InChIKey of 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
The InChIKey is VJKUEVHWASXBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28FN5/c47-36-23-19-30(20-24-36)38-25-22-34(46-50-44(31-11-3-1-4-12-31)49-45(51-46)32-13-5-2-6-14-32)28-42(38)52-41-18-10-9-17-39(41)40-26-21-33(27-43(40)52)37-16-8-7-15-35(37)29-48/h1-28H.
What are the key properties of 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile?
2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile has a molecular weight of 669.76 g/mol, XLogP of 11.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 142555854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).