9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole

C59H40F3N5 — CID 138555657

IUPAC9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C59H40F3N5/c1-37-27-29-45(38(2)31-37)43-28-30-55-47(32-43)46-25-15-16-26-54(46)67(55)56-48(57-63-50(39-17-7-3-8-18-39)35-51(64-57)40-19-9-4-10-20-40)33-44(59(60,61)62)34-49(56)58-65-52(41-21-11-5-12-22-41)36-53(66-58)42-23-13-6-14-24-42/h3-36H,1-2H3
InChIKeyVMWVSCCCUDDDSV-UHFFFAOYSA-N
MW876.00 g/mol
LogP15.67
Rot. Bonds8

About 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole

9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole (PubChem CID 138555657) has the molecular formula C59H40F3N5 and a molecular weight of 876.00 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole
PubChem CID138555657
Molecular FormulaC59H40F3N5
Molecular Weight876.00 g/mol
Exact Mass875.32
IUPAC Name9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)c1
InChIInChI=1S/C59H40F3N5/c1-37-27-29-45(38(2)31-37)43-28-30-55-47(32-43)46-25-15-16-26-54(46)67(55)56-48(57-63-50(39-17-7-3-8-18-39)35-51(64-57)40-19-9-4-10-20-40)33-44(59(60,61)62)34-49(56)58-65-52(41-21-11-5-12-22-41)36-53(66-58)42-23-13-6-14-24-42/h3-36H,1-2H3
InChIKeyVMWVSCCCUDDDSV-UHFFFAOYSA-N
XLogP15.67
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.00
LogP ≤ 515.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 156511353
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
CID 138555653
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138555651
9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole
CID 138555519
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 156511503
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 156511377
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 138555820
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138555508
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole (CID 138555657) is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(C)c1.
What is the InChIKey of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
The InChIKey is VMWVSCCCUDDDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40F3N5/c1-37-27-29-45(38(2)31-37)43-28-30-55-47(32-43)46-25-15-16-26-54(46)67(55)56-48(57-63-50(39-17-7-3-8-18-39)35-51(64-57)40-19-9-4-10-20-40)33-44(59(60,61)62)34-49(56)58-65-52(41-21-11-5-12-22-41)36-53(66-58)42-23-13-6-14-24-42/h3-36H,1-2H3.
What are the key properties of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole?
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole has a molecular weight of 876.00 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 138555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).