7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene

C36H26F12 — CID 175883342

IUPAC7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1cc(-c2cc3c(c(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc5c4CCCC5)c2)CCCC3)cc(C(F)(F)F)c1
InChIInChI=1S/C36H26F12/c37-33(38,39)25-11-23(12-26(17-25)34(40,41)42)21-9-19-5-1-3-7-29(19)31(15-21)32-16-22(10-20-6-2-4-8-30(20)32)24-13-27(35(43,44)45)18-28(14-24)36(46,47)48/h9-18H,1-8H2
InChIKeyOGSADDQCKPODIQ-UHFFFAOYSA-N
MW686.58 g/mol
LogP12.52
Rot. Bonds3

About 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene

7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 175883342) has the molecular formula C36H26F12 and a molecular weight of 686.58 g/mol. Its IUPAC name is 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID175883342
Molecular FormulaC36H26F12
Molecular Weight686.58 g/mol
Exact Mass686.18
IUPAC Name7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene
SMILESFC(F)(F)c1cc(-c2cc3c(c(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc5c4CCCC5)c2)CCCC3)cc(C(F)(F)F)c1
InChIInChI=1S/C36H26F12/c37-33(38,39)25-11-23(12-26(17-25)34(40,41)42)21-9-19-5-1-3-7-29(19)31(15-21)32-16-22(10-20-6-2-4-8-30(20)32)24-13-27(35(43,44)45)18-28(14-24)36(46,47)48/h9-18H,1-8H2
InChIKeyOGSADDQCKPODIQ-UHFFFAOYSA-N
XLogP12.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.58
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

4-tert-butyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 155459340
1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
4-ethyl-6-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 172602890
7-tert-butyl-5-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene
CID 130466939
7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 143567581
[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane
CID 140656274
[3-phenyl-1-(3-phenyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl] hypofluorite
CID 142141369
8-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydrochrysene
CID 174866199
8-[3,5-bis(trifluoromethyl)phenyl]-10-methyl-3,4-dioxabicyclo[4.3.1]deca-1(9),6(10),7-triene-2,5-dione
CID 163673157
4-[3,5-bis(trifluoromethyl)phenyl]-2-(trifluoromethyl)-1H-indene
CID 173192696
N-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18876232
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746

Frequently Asked Questions

What is the IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene (CID 175883342) is 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene is FC(F)(F)c1cc(-c2cc3c(c(-c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc5c4CCCC5)c2)CCCC3)cc(C(F)(F)F)c1.
What is the InChIKey of 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OGSADDQCKPODIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F12/c37-33(38,39)25-11-23(12-26(17-25)34(40,41)42)21-9-19-5-1-3-7-29(19)31(15-21)32-16-22(10-20-6-2-4-8-30(20)32)24-13-27(35(43,44)45)18-28(14-24)36(46,47)48/h9-18H,1-8H2.
What are the key properties of 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene?
7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 686.58 g/mol, XLogP of 12.52, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,5-bis(trifluoromethyl)phenyl]-5-[3-[3,5-bis(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 175883342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).