5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile

C35H19FN6 — CID 144600852

IUPAC5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)c1
InChIInChI=1S/C35H19FN6/c36-27-13-10-24(11-14-27)33-39-34(41-35(40-33)26-17-22(20-37)16-23(18-26)21-38)25-12-15-32-30(19-25)29-8-4-5-9-31(29)42(32)28-6-2-1-3-7-28/h1-19H
InChIKeyGIWPYTFTSVDJDV-UHFFFAOYSA-N
MW542.58 g/mol
LogP7.85
Rot. Bonds4

About 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile

5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile (PubChem CID 144600852) has the molecular formula C35H19FN6 and a molecular weight of 542.58 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
PubChem CID144600852
Molecular FormulaC35H19FN6
Molecular Weight542.58 g/mol
Exact Mass542.17
IUPAC Name5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)c1
InChIInChI=1S/C35H19FN6/c36-27-13-10-24(11-14-27)33-39-34(41-35(40-33)26-17-22(20-37)16-23(18-26)21-38)25-12-15-32-30(19-25)29-8-4-5-9-31(29)42(32)28-6-2-1-3-7-28/h1-19H
InChIKeyGIWPYTFTSVDJDV-UHFFFAOYSA-N
XLogP7.85
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.58
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4,6-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]benzonitrile
CID 118259280
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
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-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138729186
3-[4-(3-cyanophenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 144596106
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-phenylphenyl)carbazole
CID 70934602
4-[6-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-cyanophenyl)pyrimidin-4-yl]benzonitrile
CID 118259453
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile (CID 144600852) is 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(-c2nc(-c3ccc(F)cc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)c1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
The InChIKey is GIWPYTFTSVDJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H19FN6/c36-27-13-10-24(11-14-27)33-39-34(41-35(40-33)26-17-22(20-37)16-23(18-26)21-38)25-12-15-32-30(19-25)29-8-4-5-9-31(29)42(32)28-6-2-1-3-7-28/h1-19H.
What are the key properties of 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile?
5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile has a molecular weight of 542.58 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 144600852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).