9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole

C67H48F3N5 — CID 138555519

IUPAC9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C67H48F3N5/c1-41-25-29-52(43(3)33-41)49-27-31-54-55-32-28-50(53-30-26-42(2)34-44(53)4)36-63(55)75(62(54)35-49)64-56(60-39-58(45-17-9-5-10-18-45)71-65(73-60)47-21-13-7-14-22-47)37-51(67(68,69)70)38-57(64)61-40-59(46-19-11-6-12-20-46)72-66(74-61)48-23-15-8-16-24-48/h5-40H,1-4H3
InChIKeyGNQRRWLIJXKJIQ-UHFFFAOYSA-N
MW980.15 g/mol
LogP17.95
Rot. Bonds9

About 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole

9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole (PubChem CID 138555519) has the molecular formula C67H48F3N5 and a molecular weight of 980.15 g/mol. Its IUPAC name is 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole
PubChem CID138555519
Molecular FormulaC67H48F3N5
Molecular Weight980.15 g/mol
Exact Mass979.39
IUPAC Name9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1
InChIInChI=1S/C67H48F3N5/c1-41-25-29-52(43(3)33-41)49-27-31-54-55-32-28-50(53-30-26-42(2)34-44(53)4)36-63(55)75(62(54)35-49)64-56(60-39-58(45-17-9-5-10-18-45)71-65(73-60)47-21-13-7-14-22-47)37-51(67(68,69)70)38-57(64)61-40-59(46-19-11-6-12-20-46)72-66(74-61)48-23-15-8-16-24-48/h5-40H,1-4H3
InChIKeyGNQRRWLIJXKJIQ-UHFFFAOYSA-N
XLogP17.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.15
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(3,5-dimethylphenyl)carbazole
CID 156511562
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-(2,4-dimethylphenyl)carbazole
CID 138555657
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-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-ditert-butylcarbazole
CID 156511388
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(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-tert-butylcarbazole
CID 156511681
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
4-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 156511618
2-[9-[2-(2,6-diphenylpyrimidin-4-yl)-6-(4,6-diphenylpyrimidin-2-yl)-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile
CID 156511664
9-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2,4-dimethylphenyl)carbazole
CID 137421078
5-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 156511621

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole?
The IUPAC name of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole (CID 138555519) is 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole.
What is the SMILES notation for 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole?
The canonical SMILES for 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4c(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(F)(F)F)cc4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)c(C)c1.
What is the InChIKey of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole?
The InChIKey is GNQRRWLIJXKJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48F3N5/c1-41-25-29-52(43(3)33-41)49-27-31-54-55-32-28-50(53-30-26-42(2)34-44(53)4)36-63(55)75(62(54)35-49)64-56(60-39-58(45-17-9-5-10-18-45)71-65(73-60)47-21-13-7-14-22-47)37-51(67(68,69)70)38-57(64)61-40-59(46-19-11-6-12-20-46)72-66(74-61)48-23-15-8-16-24-48/h5-40H,1-4H3.
What are the key properties of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole?
9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole has a molecular weight of 980.15 g/mol, XLogP of 17.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2,7-bis(2,4-dimethylphenyl)carbazole is sourced from PubChem (CID 138555519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).