4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile

C80H36F24N6 — CID 162572662

IUPAC4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2cc(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C80H36F24N6/c81-73(82,83)46-12-16-50(60(32-46)77(93,94)95)42-8-22-66-54(28-42)55-29-43(51-17-13-47(74(84,85)86)33-61(51)78(96,97)98)9-23-67(55)109(66)70-20-6-39(37-105)26-58(70)64-36-65(108-72(107-64)41-4-2-1-3-5-41)59-27-40(38-106)7-21-71(59)110-68-24-10-44(52-18-14-48(75(87,88)89)34-62(52)79(99,100)101)30-56(68)57-31-45(11-25-69(57)110)53-19-15-49(76(90,91)92)35-63(53)80(102,103)104/h1-36H
InChIKeyNKLZLMKBEBVQER-UHFFFAOYSA-N
MW1537.16 g/mol
LogP26.23
Rot. Bonds9

About 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile

4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile (PubChem CID 162572662) has the molecular formula C80H36F24N6 and a molecular weight of 1537.16 g/mol. Its IUPAC name is 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile
PubChem CID162572662
Molecular FormulaC80H36F24N6
Molecular Weight1537.16 g/mol
Exact Mass1536.26
IUPAC Name4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile
SMILESN#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2cc(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)nc(-c3ccccc3)n2)c1
InChIInChI=1S/C80H36F24N6/c81-73(82,83)46-12-16-50(60(32-46)77(93,94)95)42-8-22-66-54(28-42)55-29-43(51-17-13-47(74(84,85)86)33-61(51)78(96,97)98)9-23-67(55)109(66)70-20-6-39(37-105)26-58(70)64-36-65(108-72(107-64)41-4-2-1-3-5-41)59-27-40(38-106)7-21-71(59)110-68-24-10-44(52-18-14-48(75(87,88)89)34-62(52)79(99,100)101)30-56(68)57-31-45(11-25-69(57)110)53-19-15-49(76(90,91)92)35-63(53)80(102,103)104/h1-36H
InChIKeyNKLZLMKBEBVQER-UHFFFAOYSA-N
XLogP26.23
TPSA83.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001537.16
LogP ≤ 526.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile with MolForge

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Related Compounds

3-[3-[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512748
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499401
4,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419834
4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499166
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-4-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499169
4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003391
3-[5-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(4-cyanophenyl)carbazol-9-yl]phenyl]-4-[3-(4-cyanophenyl)carbazol-9-yl]benzonitrile
CID 138499518
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
3-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-(trifluoromethyl)phenyl]benzonitrile
CID 139526121
3-[4-[2,4-bis(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)carbazol-9-yl]phenyl]-4-[3-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 138499904
5-[9-[2-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-cyanophenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138499927
3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 162612587

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
The IUPAC name of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile (CID 162572662) is 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile.
What is the SMILES notation for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
The canonical SMILES for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile is N#Cc1ccc(-n2c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc3c3cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc32)c(-c2cc(-c3cc(C#N)ccc3-n3c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc4c4cc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)ccc43)nc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
The InChIKey is NKLZLMKBEBVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H36F24N6/c81-73(82,83)46-12-16-50(60(32-46)77(93,94)95)42-8-22-66-54(28-42)55-29-43(51-17-13-47(74(84,85)86)33-61(51)78(96,97)98)9-23-67(55)109(66)70-20-6-39(37-105)26-58(70)64-36-65(108-72(107-64)41-4-2-1-3-5-41)59-27-40(38-106)7-21-71(59)110-68-24-10-44(52-18-14-48(75(87,88)89)34-62(52)79(99,100)101)30-56(68)57-31-45(11-25-69(57)110)53-19-15-49(76(90,91)92)35-63(53)80(102,103)104/h1-36H.
What are the key properties of 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile?
4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile has a molecular weight of 1537.16 g/mol, XLogP of 26.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-[6-[2-[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-2-phenylpyrimidin-4-yl]benzonitrile is sourced from PubChem (CID 162572662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).