2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

C65H39F3N6 — CID 174170989

IUPAC2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C65H39F3N6/c66-65(67,68)48-31-35-60(73-56-26-14-12-24-50(56)53-36-44(29-33-58(53)73)41-16-4-1-5-17-41)55(39-48)64-71-62(43-20-8-3-9-21-43)70-63(72-64)52-32-28-46(49-23-11-10-22-47(49)40-69)38-61(52)74-57-27-15-13-25-51(57)54-37-45(30-34-59(54)74)42-18-6-2-7-19-42/h1-39H
InChIKeyYVICNCBAERFWAZ-UHFFFAOYSA-N
MW961.06 g/mol
LogP16.96
Rot. Bonds8

About 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile

2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (PubChem CID 174170989) has the molecular formula C65H39F3N6 and a molecular weight of 961.06 g/mol. Its IUPAC name is 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
PubChem CID174170989
Molecular FormulaC65H39F3N6
Molecular Weight961.06 g/mol
Exact Mass960.32
IUPAC Name2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
SMILESN#Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1
InChIInChI=1S/C65H39F3N6/c66-65(67,68)48-31-35-60(73-56-26-14-12-24-50(56)53-36-44(29-33-58(53)73)41-16-4-1-5-17-41)55(39-48)64-71-62(43-20-8-3-9-21-43)70-63(72-64)52-32-28-46(49-23-11-10-22-47(49)40-69)38-61(52)74-57-27-15-13-25-51(57)54-37-45(30-34-59(54)74)42-18-6-2-7-19-42/h1-39H
InChIKeyYVICNCBAERFWAZ-UHFFFAOYSA-N
XLogP16.96
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.06
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2-cyanophenyl)-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 138486444
3-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174171018
2-[3-(3,6-dimethylcarbazol-9-yl)-4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]benzonitrile
CID 159473587
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
3-[4-(3,6-diphenylcarbazol-9-yl)-3-[4-[2-(3,6-diphenylcarbazol-9-yl)-4-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174171020
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 138486656
3-[9-[5-[2,4-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 142533588
2,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729233
5-[9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 162611751
3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512748
2-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-[2-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496162
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 142543910

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The IUPAC name of 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile (CID 174170989) is 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The canonical SMILES for 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is N#Cc1ccccc1-c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccccc4c4cc(-c5ccccc5)ccc43)n2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1.
What is the InChIKey of 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
The InChIKey is YVICNCBAERFWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39F3N6/c66-65(67,68)48-31-35-60(73-56-26-14-12-24-50(56)53-36-44(29-33-58(53)73)41-16-4-1-5-17-41)55(39-48)64-71-62(43-20-8-3-9-21-43)70-63(72-64)52-32-28-46(49-23-11-10-22-47(49)40-69)38-61(52)74-57-27-15-13-25-51(57)54-37-45(30-34-59(54)74)42-18-6-2-7-19-42/h1-39H.
What are the key properties of 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile?
2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile has a molecular weight of 961.06 g/mol, XLogP of 16.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-phenylcarbazol-9-yl)-4-[4-phenyl-6-[2-(3-phenylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile is sourced from PubChem (CID 174170989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).