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

C58H38F3N5 — CID 138555653

IUPAC9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H38F3N5/c1-37-26-28-38(29-27-37)43-30-31-54-46(32-43)45-24-14-15-25-53(45)66(54)55-47(56-62-49(39-16-6-2-7-17-39)35-50(63-56)40-18-8-3-9-19-40)33-44(58(59,60)61)34-48(55)57-64-51(41-20-10-4-11-21-41)36-52(65-57)42-22-12-5-13-23-42/h2-36H,1H3
InChIKeyNCDGXZVRIBLRKS-UHFFFAOYSA-N
MW861.97 g/mol
LogP15.36
Rot. Bonds8

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

9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole (PubChem CID 138555653) has the molecular formula C58H38F3N5 and a molecular weight of 861.97 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
PubChem CID138555653
Molecular FormulaC58H38F3N5
Molecular Weight861.97 g/mol
Exact Mass861.31
IUPAC Name9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C58H38F3N5/c1-37-26-28-38(29-27-37)43-30-31-54-46(32-43)45-24-14-15-25-53(45)66(54)55-47(56-62-49(39-16-6-2-7-17-39)35-50(63-56)40-18-8-3-9-19-40)33-44(58(59,60)61)34-48(55)57-64-51(41-20-10-4-11-21-41)36-52(65-57)42-22-12-5-13-23-42/h2-36H,1H3
InChIKeyNCDGXZVRIBLRKS-UHFFFAOYSA-N
XLogP15.36
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.97
LogP ≤ 515.36
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-(3-methylphenyl)carbazole
CID 138555651
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 156511503
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 138555657
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(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 138555508
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole-3-carbonitrile
CID 156511431
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole
CID 160846045
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 156511377
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[4-(trifluoromethyl)phenyl]phenyl]-3-methylcarbazole
CID 155446598
9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 160611449
2-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazole
CID 156511373
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
The IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole (CID 138555653) is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole.
What is the SMILES notation for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
The canonical SMILES for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
The InChIKey is NCDGXZVRIBLRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38F3N5/c1-37-26-28-38(29-27-37)43-30-31-54-46(32-43)45-24-14-15-25-53(45)66(54)55-47(56-62-49(39-16-6-2-7-17-39)35-50(63-56)40-18-8-3-9-19-40)33-44(58(59,60)61)34-48(55)57-64-51(41-20-10-4-11-21-41)36-52(65-57)42-22-12-5-13-23-42/h2-36H,1H3.
What are the key properties of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole?
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(4-methylphenyl)carbazole has a molecular weight of 861.97 g/mol, XLogP of 15.36, 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-(4-methylphenyl)carbazole is sourced from PubChem (CID 138555653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).