9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole

C51H23F18N5 — CID 138712829

IUPAC9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)n2)c1
InChIInChI=1S/C51H23F18N5/c52-46(53,54)25-6-12-37-31(18-25)32-19-26(47(55,56)57)7-13-38(32)73(37)41-16-10-29(50(64,65)66)22-35(41)44-70-43(24-4-2-1-3-5-24)71-45(72-44)36-23-30(51(67,68)69)11-17-42(36)74-39-14-8-27(48(58,59)60)20-33(39)34-21-28(49(61,62)63)9-15-40(34)74/h1-23H
InChIKeyYJTXUDBAQSAQMZ-UHFFFAOYSA-N
MW1047.74 g/mol
LogP17.18
Rot. Bonds5

About 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 138712829) has the molecular formula C51H23F18N5 and a molecular weight of 1047.74 g/mol. Its IUPAC name is 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
PubChem CID138712829
Molecular FormulaC51H23F18N5
Molecular Weight1047.74 g/mol
Exact Mass1047.17
IUPAC Name9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)n2)c1
InChIInChI=1S/C51H23F18N5/c52-46(53,54)25-6-12-37-31(18-25)32-19-26(47(55,56)57)7-13-38(32)73(37)41-16-10-29(50(64,65)66)22-35(41)44-70-43(24-4-2-1-3-5-24)71-45(72-44)36-23-30(51(67,68)69)11-17-42(36)74-39-14-8-27(48(58,59)60)20-33(39)34-21-28(49(61,62)63)9-15-40(34)74/h1-23H
InChIKeyYJTXUDBAQSAQMZ-UHFFFAOYSA-N
XLogP17.18
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.74
LogP ≤ 517.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole with MolForge

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Related Compounds

9-[4-(2,3-difluorophenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138565828
9-[2-(4,6-diphenylpyrimidin-2-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 160692189
2,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729233
9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole
CID 138554702
9-[2-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 138554301
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(trifluoromethyl)carbazole
CID 142543888
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
2-methyl-9-[4-methyl-2-[4-[5-methyl-2-[2-methyl-7-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7-(trifluoromethyl)carbazole
CID 162052120
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-methyl-6-(trifluoromethyl)carbazole
CID 163662138
9-[2-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 138554302
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 138554386
9-[2-[4-[2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-methylphenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-2,7-bis(3-methylphenyl)carbazole
CID 159135783

Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The IUPAC name of 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 138712829) is 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.
What is the SMILES notation for 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The canonical SMILES for 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc(-n2c3ccc(C(F)(F)F)cc3c3cc(C(F)(F)F)ccc32)c(-c2nc(-c3ccccc3)nc(-c3cc(C(F)(F)F)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)n2)c1.
What is the InChIKey of 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
The InChIKey is YJTXUDBAQSAQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H23F18N5/c52-46(53,54)25-6-12-37-31(18-25)32-19-26(47(55,56)57)7-13-38(32)73(37)41-16-10-29(50(64,65)66)22-35(41)44-70-43(24-4-2-1-3-5-24)71-45(72-44)36-23-30(51(67,68)69)11-17-42(36)74-39-14-8-27(48(58,59)60)20-33(39)34-21-28(49(61,62)63)9-15-40(34)74/h1-23H.
What are the key properties of 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole?
9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1047.74 g/mol, XLogP of 17.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-[2-[3,6-bis(trifluoromethyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 138712829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).