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

C39H19F12N3 — CID 146393939

IUPAC9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)nc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C39H19F12N3/c40-36(41,42)22-9-11-28-26-5-1-3-7-30(26)53(32(28)18-22)34-15-21(20-13-24(38(46,47)48)17-25(14-20)39(49,50)51)16-35(52-34)54-31-8-4-2-6-27(31)29-12-10-23(19-33(29)54)37(43,44)45/h1-19H
InChIKeyNVCXSXLSJQJOPB-UHFFFAOYSA-N
MW757.58 g/mol
LogP13.02
Rot. Bonds3

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

9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole (PubChem CID 146393939) has the molecular formula C39H19F12N3 and a molecular weight of 757.58 g/mol. Its IUPAC name is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
PubChem CID146393939
Molecular FormulaC39H19F12N3
Molecular Weight757.58 g/mol
Exact Mass757.14
IUPAC Name9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)nc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C39H19F12N3/c40-36(41,42)22-9-11-28-26-5-1-3-7-30(26)53(32(28)18-22)34-15-21(20-13-24(38(46,47)48)17-25(14-20)39(49,50)51)16-35(52-34)54-31-8-4-2-6-27(31)29-12-10-23(19-33(29)54)37(43,44)45/h1-19H
InChIKeyNVCXSXLSJQJOPB-UHFFFAOYSA-N
XLogP13.02
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.58
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-tert-butylcarbazol-9-yl)-2-pyridinyl]-2-tert-butylcarbazole
CID 146393925
9-[6-[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-bis(2-methylphenyl)carbazole
CID 146393991
3-[2-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[3-[1-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2-carbazol-9-ylcarbazol-9-yl)-2-pyridinyl]-2-carbazol-9-ylcarbazol-3-yl]-2-methylpropan-2-yl]-6-tert-butylcarbazol-9-yl]-2-pyridinyl]-6-tert-butylcarbazol-3-yl]-2-methylpropyl]-9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-(2,7-ditert-butylcarbazol-9-yl)-2-pyridinyl]-2,7-ditert-butylcarbazole
CID 162572242
9-[4-[diphenyl-[4-[2-(trifluoromethyl)carbazol-9-yl]phenyl]methyl]phenyl]-2-(trifluoromethyl)carbazole
CID 90277489
2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
CID 138486398
9-[2-[3,5-bis(trifluoromethyl)phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 162611788
4-[3-cyano-5-(trifluoromethyl)phenyl]-3,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 155217992
9-[6-carbazol-9-yl-4-(3-methylphenyl)-2-pyridinyl]carbazole
CID 156574202
9-(4-tert-butyl-6-carbazol-9-yl-2-pyridinyl)carbazole
CID 155452447
4-[3,5-bis(trifluoromethyl)phenyl]-2,6-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 134300631
2,5-bis[2-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301885
4-pyridin-4-yl-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 134292666

Frequently Asked Questions

What is the IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole?
The IUPAC name of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole (CID 146393939) is 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole?
The canonical SMILES for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole is FC(F)(F)c1cc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)nc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c2)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole?
The InChIKey is NVCXSXLSJQJOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H19F12N3/c40-36(41,42)22-9-11-28-26-5-1-3-7-30(26)53(32(28)18-22)34-15-21(20-13-24(38(46,47)48)17-25(14-20)39(49,50)51)16-35(52-34)54-31-8-4-2-6-27(31)29-12-10-23(19-33(29)54)37(43,44)45/h1-19H.
What are the key properties of 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole?
9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole has a molecular weight of 757.58 g/mol, XLogP of 13.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)carbazol-9-yl]-2-pyridinyl]-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 146393939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).