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

C60H36F6N4 — CID 155463376

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)40-31-32-41(48(35-40)60(64,65)66)39-30-33-55-47(34-39)44-22-9-13-27-53(44)70(55)56-29-15-24-46(58-67-49(37-16-3-1-4-17-37)36-50(68-58)38-18-5-2-6-19-38)57(56)45-23-10-14-28-54(45)69-51-25-11-7-20-42(51)43-21-8-12-26-52(43)69/h1-36H
InChIKeyADRXAHLMSMDBBT-UHFFFAOYSA-N
MW926.96 g/mol
LogP17.04
Rot. Bonds7

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

3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (PubChem CID 155463376) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
PubChem CID155463376
Molecular FormulaC60H36F6N4
Molecular Weight926.96 g/mol
Exact Mass926.28
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole
SMILESFC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C60H36F6N4/c61-59(62,63)40-31-32-41(48(35-40)60(64,65)66)39-30-33-55-47(34-39)44-22-9-13-27-53(44)70(55)56-29-15-24-46(58-67-49(37-16-3-1-4-17-37)36-50(68-58)38-18-5-2-6-19-38)57(56)45-23-10-14-28-54(45)69-51-25-11-7-20-42(51)43-21-8-12-26-52(43)69/h1-36H
InChIKeyADRXAHLMSMDBBT-UHFFFAOYSA-N
XLogP17.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.96
LogP ≤ 517.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[2-(2-carbazol-9-ylphenyl)-3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 155462551
3-tert-butyl-9-[2-[2-(3-tert-butylcarbazol-9-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-(3-methylcarbazol-9-yl)phenyl]phenyl]-3-methylcarbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(2-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(2-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]-3-(4-methylphenyl)carbazole;9-[2-[2-(4,6-diphenylpyrimidin-2-yl)-6-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 161317622
9-[2,6-bis(2-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]carbazole
CID 147187982
2-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 137420851
3-[2,4-bis(trifluoromethyl)phenyl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[2-[3-[2-methyl-4-(trifluoromethyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 161015252
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(9-phenylcarbazol-1-yl)phenyl]carbazole
CID 155232340
9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155463382
3-[2,4-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486806
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-fluorophenyl)phenyl]carbazole
CID 138549374
9-[2-(2-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)carbazole
CID 155462877
4,5-bis[3,6-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(2,6-diphenylpyrimidin-4-yl)benzonitrile
CID 139419834
3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 155446573

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole (CID 155463376) is 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2-c2ccccc2-n2c3ccccc3c3ccccc32)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
The InChIKey is ADRXAHLMSMDBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F6N4/c61-59(62,63)40-31-32-41(48(35-40)60(64,65)66)39-30-33-55-47(34-39)44-22-9-13-27-53(44)70(55)56-29-15-24-46(58-67-49(37-16-3-1-4-17-37)36-50(68-58)38-18-5-2-6-19-38)57(56)45-23-10-14-28-54(45)69-51-25-11-7-20-42(51)43-21-8-12-26-52(43)69/h1-36H.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole?
3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole has a molecular weight of 926.96 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-9-[2-(2-carbazol-9-ylphenyl)-3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155463376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).