1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene

C34H24F6O2 — CID 46189438

IUPAC1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(C(F)(F)F)c(-c3ccc(OC)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C34H24F6O2/c1-41-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)31(33(35,36)37)30(32(29)34(38,39)40)24-15-19-26(42-2)20-16-24/h3-20H,1-2H3
InChIKeyPFDGHTYQKMGNDL-UHFFFAOYSA-N
MW578.55 g/mol
LogP10.41
Rot. Bonds6

About 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene

1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene (PubChem CID 46189438) has the molecular formula C34H24F6O2 and a molecular weight of 578.55 g/mol. Its IUPAC name is 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
PubChem CID46189438
Molecular FormulaC34H24F6O2
Molecular Weight578.55 g/mol
Exact Mass578.17
IUPAC Name1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene
SMILESCOc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(C(F)(F)F)c(-c3ccc(OC)cc3)c2C(F)(F)F)cc1
InChIInChI=1S/C34H24F6O2/c1-41-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)31(33(35,36)37)30(32(29)34(38,39)40)24-15-19-26(42-2)20-16-24/h3-20H,1-2H3
InChIKeyPFDGHTYQKMGNDL-UHFFFAOYSA-N
XLogP10.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.55
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(trifluoromethyl)benzene
CID 177484765
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene
CID 71424392
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
5-(4-methoxyphenyl)-3-phenyl-4-(trifluoromethyl)-1H-pyrazole
CID 132505617
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
1-methoxy-4-phenylbenzene cyanide
CID 159561637
3-(4-methoxyphenyl)-1-methyl-5-phenyl-4-[4-(trifluoromethyl)phenyl]pyrazole
CID 132940971

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene?
The IUPAC name of 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene (CID 46189438) is 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene?
The canonical SMILES for 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene is COc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(C(F)(F)F)c(-c3ccc(OC)cc3)c2C(F)(F)F)cc1.
What is the InChIKey of 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene?
The InChIKey is PFDGHTYQKMGNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24F6O2/c1-41-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)31(33(35,36)37)30(32(29)34(38,39)40)24-15-19-26(42-2)20-16-24/h3-20H,1-2H3.
What are the key properties of 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene?
1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene has a molecular weight of 578.55 g/mol, XLogP of 10.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(4-methoxyphenyl)-2,3-diphenyl-4,6-bis(trifluoromethyl)benzene is sourced from PubChem (CID 46189438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).