9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole

C59H34F9N5 — CID 156511503

IUPAC9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C59H34F9N5/c60-57(61,62)41-27-40(28-42(30-41)58(63,64)65)39-25-26-53-45(29-39)44-23-13-14-24-52(44)73(53)54-46(55-69-48(35-15-5-1-6-16-35)33-49(70-55)36-17-7-2-8-18-36)31-43(59(66,67)68)32-47(54)56-71-50(37-19-9-3-10-20-37)34-51(72-56)38-21-11-4-12-22-38/h1-34H
InChIKeySUHSTBJQVBAPMZ-UHFFFAOYSA-N
MW983.94 g/mol
LogP17.09
Rot. Bonds8

About 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole

9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 156511503) has the molecular formula C59H34F9N5 and a molecular weight of 983.94 g/mol. Its IUPAC name is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
PubChem CID156511503
Molecular FormulaC59H34F9N5
Molecular Weight983.94 g/mol
Exact Mass983.27
IUPAC Name9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(C(F)(F)F)c1
InChIInChI=1S/C59H34F9N5/c60-57(61,62)41-27-40(28-42(30-41)58(63,64)65)39-25-26-53-45(29-39)44-23-13-14-24-52(44)73(53)54-46(55-69-48(35-15-5-1-6-16-35)33-49(70-55)36-17-7-2-8-18-36)31-43(59(66,67)68)32-47(54)56-71-50(37-19-9-3-10-20-37)34-51(72-56)38-21-11-4-12-22-38/h1-34H
InChIKeySUHSTBJQVBAPMZ-UHFFFAOYSA-N
XLogP17.09
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500983.94
LogP ≤ 517.09
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-(4-methylphenyl)carbazole
CID 138555653
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-(3-methylphenyl)carbazole
CID 138555651
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-[2,6-bis(4-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 158384028
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(3-carbazol-9-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
CID 166786535
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]carbazole-3-carbonitrile
CID 156511431
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 156511353
4,5-bis[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302142
9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole
CID 156511377

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole (CID 156511503) is 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is SUHSTBJQVBAPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H34F9N5/c60-57(61,62)41-27-40(28-42(30-41)58(63,64)65)39-25-26-53-45(29-39)44-23-13-14-24-52(44)73(53)54-46(55-69-48(35-15-5-1-6-16-35)33-49(70-55)36-17-7-2-8-18-36)31-43(59(66,67)68)32-47(54)56-71-50(37-19-9-3-10-20-37)34-51(72-56)38-21-11-4-12-22-38/h1-34H.
What are the key properties of 9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole?
9-[2,6-bis(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 983.94 g/mol, XLogP of 17.09, 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-[3,5-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 156511503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).