5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile

C101H57F6N11 — CID 156509761

IUPAC5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2ccc(-c4ccc(-c5ccc6c7ccc(-c8ccccc8C#N)cc7n(-c7ccc(-c8cccc(C(F)(F)F)c8)c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)c(C#N)c4)cc2n3-c2ccc(-c3cccc(C(F)(F)F)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C101H57F6N11/c102-100(103,104)76-31-16-29-70(50-76)82-45-39-78(56-88(82)98-113-94(62-19-5-1-6-20-62)111-95(114-98)63-21-7-2-8-22-63)117-90-47-38-68(66-28-15-18-61(48-66)58-108)52-87(90)86-42-35-69(53-91(86)117)67-34-41-81(75(49-67)60-110)73-37-44-85-84-43-36-72(80-33-14-13-27-74(80)59-109)54-92(84)118(93(85)55-73)79-40-46-83(71-30-17-32-77(51-71)101(105,106)107)89(57-79)99-115-96(64-23-9-3-10-24-64)112-97(116-99)65-25-11-4-12-26-65/h1-57H
InChIKeyKWMZUMWESYZRLB-UHFFFAOYSA-N
MW1538.63 g/mol
LogP25.91
Rot. Bonds14

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

5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile (PubChem CID 156509761) has the molecular formula C101H57F6N11 and a molecular weight of 1538.63 g/mol. Its IUPAC name is 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile.

Molecular Properties

Compound Name5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
PubChem CID156509761
Molecular FormulaC101H57F6N11
Molecular Weight1538.63 g/mol
Exact Mass1537.47
IUPAC Name5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(c2)c2ccc(-c4ccc(-c5ccc6c7ccc(-c8ccccc8C#N)cc7n(-c7ccc(-c8cccc(C(F)(F)F)c8)c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)c(C#N)c4)cc2n3-c2ccc(-c3cccc(C(F)(F)F)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C101H57F6N11/c102-100(103,104)76-31-16-29-70(50-76)82-45-39-78(56-88(82)98-113-94(62-19-5-1-6-20-62)111-95(114-98)63-21-7-2-8-22-63)117-90-47-38-68(66-28-15-18-61(48-66)58-108)52-87(90)86-42-35-69(53-91(86)117)67-34-41-81(75(49-67)60-110)73-37-44-85-84-43-36-72(80-33-14-13-27-74(80)59-109)54-92(84)118(93(85)55-73)79-40-46-83(71-30-17-32-77(51-71)101(105,106)107)89(57-79)99-115-96(64-23-9-3-10-24-64)112-97(116-99)65-25-11-4-12-26-65/h1-57H
InChIKeyKWMZUMWESYZRLB-UHFFFAOYSA-N
XLogP25.91
TPSA158.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.63
LogP ≤ 525.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile with MolForge

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Related Compounds

4-[6-(4-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 147403621
2-[4-[2-(3-cyanophenyl)-5-(3,6-diphenylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 170664965
4-[9-[3-[3,5-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 166669960
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile
CID 138486655
3-[9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazol-3-yl]benzonitrile
CID 138486656
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
3-[9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile
CID 163507883
3-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[4-[5-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(3-cyanophenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 154950393
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-2-(3-methylphenyl)carbazole
CID 138486456
2,7-bis(3,5-dimethylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486570
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
4-[9-[3-[2-[3,6-bis(2,4-dicyanophenyl)carbazol-9-yl]-5-(3-cyanophenyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2,4-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 139496142

Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile?
The IUPAC name of 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile (CID 156509761) is 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile.
What is the SMILES notation for 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile?
The canonical SMILES for 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile is N#Cc1cccc(-c2ccc3c(c2)c2ccc(-c4ccc(-c5ccc6c7ccc(-c8ccccc8C#N)cc7n(-c7ccc(-c8cccc(C(F)(F)F)c8)c(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7)c6c5)c(C#N)c4)cc2n3-c2ccc(-c3cccc(C(F)(F)F)c3)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile?
The InChIKey is KWMZUMWESYZRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H57F6N11/c102-100(103,104)76-31-16-29-70(50-76)82-45-39-78(56-88(82)98-113-94(62-19-5-1-6-20-62)111-95(114-98)63-21-7-2-8-22-63)117-90-47-38-68(66-28-15-18-61(48-66)58-108)52-87(90)86-42-35-69(53-91(86)117)67-34-41-81(75(49-67)60-110)73-37-44-85-84-43-36-72(80-33-14-13-27-74(80)59-109)54-92(84)118(93(85)55-73)79-40-46-83(71-30-17-32-77(51-71)101(105,106)107)89(57-79)99-115-96(64-23-9-3-10-24-64)112-97(116-99)65-25-11-4-12-26-65/h1-57H.
What are the key properties of 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile?
5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile has a molecular weight of 1538.63 g/mol, XLogP of 25.91, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]-2-[7-(2-cyanophenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]carbazol-2-yl]benzonitrile is sourced from PubChem (CID 156509761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).