9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile

C42H23F3N6 — CID 138486696

IUPAC9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4ccccc4C(F)(F)F)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C42H23F3N6/c43-42(44,45)36-14-8-7-13-32(36)31-20-17-30(51-37-21-26(24-46)15-18-33(37)34-19-16-27(25-47)22-38(34)51)23-35(31)41-49-39(28-9-3-1-4-10-28)48-40(50-41)29-11-5-2-6-12-29/h1-23H
InChIKeyUIUBRDXANIWDAN-UHFFFAOYSA-N
MW668.68 g/mol
LogP10.40
Rot. Bonds5

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile (PubChem CID 138486696) has the molecular formula C42H23F3N6 and a molecular weight of 668.68 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile.

Molecular Properties

Compound Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
PubChem CID138486696
Molecular FormulaC42H23F3N6
Molecular Weight668.68 g/mol
Exact Mass668.19
IUPAC Name9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile
SMILESN#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4ccccc4C(F)(F)F)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1
InChIInChI=1S/C42H23F3N6/c43-42(44,45)36-14-8-7-13-32(36)31-20-17-30(51-37-21-26(24-46)15-18-33(37)34-19-16-27(25-47)22-38(34)51)23-35(31)41-49-39(28-9-3-1-4-10-28)48-40(50-41)29-11-5-2-6-12-29/h1-23H
InChIKeyUIUBRDXANIWDAN-UHFFFAOYSA-N
XLogP10.40
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.68
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(4-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486487
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 138486679
4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 156509870
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 156509734
3-[7-(3-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[2-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486658
4-[9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 162611723
3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(trifluoromethyl)phenyl]phenyl]carbazole
CID 156509847
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-3,6-dimethylcarbazole
CID 138486673
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 138486861
9-[2-[4-carbazol-9-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole
CID 169059833
3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(2-fluorophenyl)phenyl]carbazol-2-yl]benzonitrile
CID 138549590
9-[2-[5-(3-cyano-6-isocyanocarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(trifluoromethyl)phenyl]carbazole-3,6-dicarbonitrile
CID 169060006

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile (CID 138486696) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile.
What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile is N#Cc1ccc2c3ccc(C#N)cc3n(-c3ccc(-c4ccccc4C(F)(F)F)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2c1.
What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
The InChIKey is UIUBRDXANIWDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H23F3N6/c43-42(44,45)36-14-8-7-13-32(36)31-20-17-30(51-37-21-26(24-46)15-18-33(37)34-19-16-27(25-47)22-38(34)51)23-35(31)41-49-39(28-9-3-1-4-10-28)48-40(50-41)29-11-5-2-6-12-29/h1-23H.
What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile?
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile has a molecular weight of 668.68 g/mol, XLogP of 10.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]carbazole-2,7-dicarbonitrile is sourced from PubChem (CID 138486696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).