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

C65H39F3N6 — CID 174171018

IUPAC3-[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#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(C(F)(F)F)ccc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C65H39F3N6/c66-65(67,68)49-30-34-60(73-56-25-12-10-23-50(56)53-36-46(28-32-58(53)73)42-16-4-1-5-17-42)55(39-49)64-71-62(44-20-8-3-9-21-44)70-63(72-64)52-31-27-48(45-22-14-15-41(35-45)40-69)38-61(52)74-57-26-13-11-24-51(57)54-37-47(29-33-59(54)74)43-18-6-2-7-19-43/h1-39H
InChIKeyXSQFVWIQADAHBA-UHFFFAOYSA-N
MW961.06 g/mol
LogP16.96
Rot. Bonds8

About 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

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 (PubChem CID 174171018) has the molecular formula C65H39F3N6 and a molecular weight of 961.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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 CID174171018
Molecular FormulaC65H39F3N6
Molecular Weight961.06 g/mol
Exact Mass960.32
IUPAC Name3-[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#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(C(F)(F)F)ccc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1
InChIInChI=1S/C65H39F3N6/c66-65(67,68)49-30-34-60(73-56-25-12-10-23-50(56)53-36-46(28-32-58(53)73)42-16-4-1-5-17-42)55(39-49)64-71-62(44-20-8-3-9-21-44)70-63(72-64)52-31-27-48(45-22-14-15-41(35-45)40-69)38-61(52)74-57-26-13-11-24-51(57)54-37-47(29-33-59(54)74)43-18-6-2-7-19-43/h1-39H
InChIKeyXSQFVWIQADAHBA-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

Analyze 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 with MolForge

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Related Compounds

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-[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
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486655
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-[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
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[4-(trifluoromethyl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 142543910
4-carbazol-9-yl-3-[4-[2-carbazol-9-yl-4-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 170664743
3-[3-[4,6-bis[4-(3-cyanophenyl)-2-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 169035606
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138554659
3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512748

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(C(F)(F)F)ccc4-n4c5ccccc5c5cc(-c6ccccc6)ccc54)n3)c(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)c1.
What is the InChIKey of 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?
The InChIKey is XSQFVWIQADAHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H39F3N6/c66-65(67,68)49-30-34-60(73-56-25-12-10-23-50(56)53-36-46(28-32-58(53)73)42-16-4-1-5-17-42)55(39-49)64-71-62(44-20-8-3-9-21-44)70-63(72-64)52-31-27-48(45-22-14-15-41(35-45)40-69)38-61(52)74-57-26-13-11-24-51(57)54-37-47(29-33-59(54)74)43-18-6-2-7-19-43/h1-39H.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 174171018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).