1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole

C38H32Cl3F8N9 — CID 135200523

IUPAC1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole
SMILESCC(C)c1c(F)c(Cl)cc(CC(C)c2cc(Cl)cc(CC(C)c3c(-n4cc(C(F)(F)F)nn4)ccc(Cl)c3F)c2-n2cc(C(F)(F)F)nn2)c1-n1cc(C2CC2)nn1
InChIInChI=1S/C38H32Cl3F8N9/c1-17(2)31-34(43)26(41)12-22(36(31)57-14-27(50-53-57)20-5-6-20)9-18(3)24-13-23(39)11-21(35(24)58-16-30(52-55-58)38(47,48)49)10-19(4)32-28(8-7-25(40)33(32)42)56-15-29(51-54-56)37(44,45)46/h7-8,11-20H,5-6,9-10H2,1-4H3
InChIKeyYTOYBSPEVKIDDR-UHFFFAOYSA-N
MW873.08 g/mol
LogP11.40
Rot. Bonds11

About 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole

1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole (PubChem CID 135200523) has the molecular formula C38H32Cl3F8N9 and a molecular weight of 873.08 g/mol. Its IUPAC name is 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole.

Molecular Properties

Compound Name1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole
PubChem CID135200523
Molecular FormulaC38H32Cl3F8N9
Molecular Weight873.08 g/mol
Exact Mass871.17
IUPAC Name1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole
SMILESCC(C)c1c(F)c(Cl)cc(CC(C)c2cc(Cl)cc(CC(C)c3c(-n4cc(C(F)(F)F)nn4)ccc(Cl)c3F)c2-n2cc(C(F)(F)F)nn2)c1-n1cc(C2CC2)nn1
InChIInChI=1S/C38H32Cl3F8N9/c1-17(2)31-34(43)26(41)12-22(36(31)57-14-27(50-53-57)20-5-6-20)9-18(3)24-13-23(39)11-21(35(24)58-16-30(52-55-58)38(47,48)49)10-19(4)32-28(8-7-25(40)33(32)42)56-15-29(51-54-56)37(44,45)46/h7-8,11-20H,5-6,9-10H2,1-4H3
InChIKeyYTOYBSPEVKIDDR-UHFFFAOYSA-N
XLogP11.40
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.08
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole with MolForge

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Related Compounds

1-[4-Chloro-2-[1-[5-chloro-3-[1-[5-chloro-3-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-4-fluoro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]phenyl]triazole-4-carbonitrile
CID 126757786
1-[4-Chloro-2-[2-[3-chloro-5-[2-[5-chloro-2-(4-methyltriazol-1-yl)phenyl]propyl]-2-fluoro-6-(4-phenyltriazol-1-yl)phenyl]propyl]-6-propan-2-ylphenyl]-4-phenyltriazole
CID 134535104
1-[4-Chloro-2-[2-[3-chloro-5-[2-[5-chloro-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]-2-fluoro-6-(4-methyltriazol-1-yl)phenyl]propyl]-6-propan-2-ylphenyl]-4-methyltriazole
CID 134535121
1-[4-Chloro-2-[2-[3-chloro-2-fluoro-6-(4-methyltriazol-1-yl)phenyl]propyl]-6-propan-2-ylphenyl]-4-methyltriazole
CID 134535370
1-[4-Chloro-2-[2-[3-chloro-2-fluoro-6-(4-methyltriazol-1-yl)phenyl]ethyl]-6-propan-2-ylphenyl]-4-methyltriazole
CID 135200495
1-[4-Chloro-6-[2-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]propyl]-2-[1-[5-chloro-2-(4-cyanotriazol-1-yl)-3-propan-2-ylphenyl]propan-2-yl]-3-fluorophenyl]triazole-4-carbonitrile
CID 135200522
1-[4-Chloro-6-[2-[5-chloro-3-[2-[3-chloro-2-fluoro-6-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]-2-[4-(trifluoromethyl)pyrazol-1-yl]phenyl]propyl]-3-fluoro-2-propan-2-ylphenyl]pyrazole-4-carbonitrile
CID 135200533
4-Chloro-1-[4-chloro-6-[2-[3-chloro-5-[2-[5-chloro-2-(triazol-1-yl)phenyl]propyl]-2-fluoro-6-(triazol-1-yl)phenyl]propyl]-3-fluoro-2-propan-2-ylphenyl]triazole
CID 138637617
1-[4-Chloro-2-[1-[5-chloro-3-[1-[5-chloro-4-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-2-(4-cyanotriazol-1-yl)phenyl]propan-2-yl]-3-fluorophenyl]triazole-4-carbonitrile
CID 146396616
1-[4-Chloro-2-[2-[3-chloro-6-(4-cyclopropyltriazol-1-yl)-2-fluorophenyl]propyl]-6-propan-2-ylphenyl]-4-cyclopropyltriazole
CID 146396627
1-[4-Chloro-2-[[5-chloro-4-fluoro-3-methyl-2-(triazol-1-yl)phenyl]methyl]phenyl]-4-(difluoromethyl)triazole
CID 155220502
1-[4-Chloro-2-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-3-ethyl-4-fluorophenyl]propan-2-yl]phenyl]-4-(trifluoromethyl)triazole
CID 156566471

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole?
The IUPAC name of 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole (CID 135200523) is 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole.
What is the SMILES notation for 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole?
The canonical SMILES for 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole is CC(C)c1c(F)c(Cl)cc(CC(C)c2cc(Cl)cc(CC(C)c3c(-n4cc(C(F)(F)F)nn4)ccc(Cl)c3F)c2-n2cc(C(F)(F)F)nn2)c1-n1cc(C2CC2)nn1.
What is the InChIKey of 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole?
The InChIKey is YTOYBSPEVKIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32Cl3F8N9/c1-17(2)31-34(43)26(41)12-22(36(31)57-14-27(50-53-57)20-5-6-20)9-18(3)24-13-23(39)11-21(35(24)58-16-30(52-55-58)38(47,48)49)10-19(4)32-28(8-7-25(40)33(32)42)56-15-29(51-54-56)37(44,45)46/h7-8,11-20H,5-6,9-10H2,1-4H3.
What are the key properties of 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole?
1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole has a molecular weight of 873.08 g/mol, XLogP of 11.40, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-[1-[5-chloro-3-[1-[5-chloro-2-(4-cyclopropyltriazol-1-yl)-4-fluoro-3-propan-2-ylphenyl]propan-2-yl]-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]propan-2-yl]-3-fluorophenyl]-4-(trifluoromethyl)triazole is sourced from PubChem (CID 135200523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).