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

C47H29F3N4 — CID 139419692

IUPAC9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C47H29F3N4/c48-47(49,50)45-43(53-39-23-11-7-19-33(39)34-20-8-12-24-40(34)53)27-32(28-44(45)54-41-25-13-9-21-35(41)36-22-10-14-26-42(36)54)38-29-37(30-15-3-1-4-16-30)51-46(52-38)31-17-5-2-6-18-31/h1-29H
InChIKeyAEGQETIZOFGISG-UHFFFAOYSA-N
MW706.77 g/mol
LogP12.69
Rot. Bonds5

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

9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 139419692) has the molecular formula C47H29F3N4 and a molecular weight of 706.77 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole
PubChem CID139419692
Molecular FormulaC47H29F3N4
Molecular Weight706.77 g/mol
Exact Mass706.23
IUPAC Name9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C47H29F3N4/c48-47(49,50)45-43(53-39-23-11-7-19-33(39)34-20-8-12-24-40(34)53)27-32(28-44(45)54-41-25-13-9-21-35(41)36-22-10-14-26-42(36)54)38-29-37(30-15-3-1-4-16-30)51-46(52-38)31-17-5-2-6-18-31/h1-29H
InChIKeyAEGQETIZOFGISG-UHFFFAOYSA-N
XLogP12.69
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.77
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[3-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
CID 134321059
9-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 58943231
9-[3-phenyl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 167223796
9-[3-[4-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenylphenyl]phenyl]-5-phenylphenyl]carbazole
CID 58943730
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 142501854
9-[4-[4-[2-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-4-pyridinyl]phenyl]phenyl]carbazole;9-[4-[4-[6-[4-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 158785186
9-[3-carbazol-9-yl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 165000137
9-[3-[6-(3,5-diphenylphenyl)-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 164822819
3-[4-[6-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 58527032
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazole
CID 134321401
3-[3,5-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
CID 155462942

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole (CID 139419692) is 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1c(-n2c3ccccc3c3ccccc32)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole?
The InChIKey is AEGQETIZOFGISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29F3N4/c48-47(49,50)45-43(53-39-23-11-7-19-33(39)34-20-8-12-24-40(34)53)27-32(28-44(45)54-41-25-13-9-21-35(41)36-22-10-14-26-42(36)54)38-29-37(30-15-3-1-4-16-30)51-46(52-38)31-17-5-2-6-18-31/h1-29H.
What are the key properties of 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole?
9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 706.77 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 139419692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).