9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole

C51H30F3N5O — CID 162573799

IUPAC9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cnccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C51H30F3N5O/c52-51(53,54)34-20-23-45-41(28-34)37-15-7-9-17-44(37)59(45)35-21-22-39(50-57-48(31-11-3-1-4-12-31)56-49(58-50)32-13-5-2-6-14-32)40(29-35)43-30-55-26-25-36(43)33-19-24-47-42(27-33)38-16-8-10-18-46(38)60-47/h1-30H
InChIKeySFQFMPMADWHGQA-UHFFFAOYSA-N
MW785.83 g/mol
LogP13.62
Rot. Bonds6

About 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole

9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (PubChem CID 162573799) has the molecular formula C51H30F3N5O and a molecular weight of 785.83 g/mol. Its IUPAC name is 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
PubChem CID162573799
Molecular FormulaC51H30F3N5O
Molecular Weight785.83 g/mol
Exact Mass785.24
IUPAC Name9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cnccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C51H30F3N5O/c52-51(53,54)34-20-23-45-41(28-34)37-15-7-9-17-44(37)59(45)35-21-22-39(50-57-48(31-11-3-1-4-12-31)56-49(58-50)32-13-5-2-6-14-32)40(29-35)43-30-55-26-25-36(43)33-19-24-47-42(27-33)38-16-8-10-18-46(38)60-47/h1-30H
InChIKeySFQFMPMADWHGQA-UHFFFAOYSA-N
XLogP13.62
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.83
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 162573800
9-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 146896773
5-[3-(3-dibenzofuran-2-yl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 147103231
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-(trifluoromethyl)phenyl]phenyl]-3-(trifluoromethyl)carbazole
CID 156509710
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 142543967
9-[3-[5-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-pyridinyl]-3-methyl-6-(trifluoromethyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(2-methylphenyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(3-methylphenyl)carbazole;9-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-pyridinyl]-3-(4-methylphenyl)carbazole
CID 158428672
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(trifluoromethyl)phenyl]phenyl]-3-phenylcarbazole
CID 156509854
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-(3-fluorophenyl)phenyl]-3-(trifluoromethyl)carbazole
CID 138549656
9-[3-[2,4-bis(trifluoromethyl)phenyl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-di(carbazol-9-yl)carbazole
CID 162611736
5-[4-[4,6-bis(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-2-ylphenyl]benzo[b]carbazole
CID 155430650
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pyridinyl]phenyl]-1-[3-[4-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-3-pyridinyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-diphenylcarbazole
CID 163931236
3-[4-dibenzofuran-2-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280120

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole (CID 162573799) is 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(-c2cnccc2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
The InChIKey is SFQFMPMADWHGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F3N5O/c52-51(53,54)34-20-23-45-41(28-34)37-15-7-9-17-44(37)59(45)35-21-22-39(50-57-48(31-11-3-1-4-12-31)56-49(58-50)32-13-5-2-6-14-32)40(29-35)43-30-55-26-25-36(43)33-19-24-47-42(27-33)38-16-8-10-18-46(38)60-47/h1-30H.
What are the key properties of 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole?
9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole has a molecular weight of 785.83 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-dibenzofuran-2-yl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 162573799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).