3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine

C34H26F6N2O4 — CID 101453272

IUPAC3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(-c4nc(C(F)(F)F)cc(-c5ccc(OC)cc5)c4OC)cc3)c2OC)cc1
InChIInChI=1S/C34H26F6N2O4/c1-43-23-13-9-19(10-14-23)25-17-27(33(35,36)37)41-29(31(25)45-3)21-5-7-22(8-6-21)30-32(46-4)26(18-28(42-30)34(38,39)40)20-11-15-24(44-2)16-12-20/h5-18H,1-4H3
InChIKeyLNFWBQOBVCEMLU-UHFFFAOYSA-N
MW640.58 g/mol
LogP9.22
Rot. Bonds8

About 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine

3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine (PubChem CID 101453272) has the molecular formula C34H26F6N2O4 and a molecular weight of 640.58 g/mol. Its IUPAC name is 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine
PubChem CID101453272
Molecular FormulaC34H26F6N2O4
Molecular Weight640.58 g/mol
Exact Mass640.18
IUPAC Name3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine
SMILESCOc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(-c4nc(C(F)(F)F)cc(-c5ccc(OC)cc5)c4OC)cc3)c2OC)cc1
InChIInChI=1S/C34H26F6N2O4/c1-43-23-13-9-19(10-14-23)25-17-27(33(35,36)37)41-29(31(25)45-3)21-5-7-22(8-6-21)30-32(46-4)26(18-28(42-30)34(38,39)40)20-11-15-24(44-2)16-12-20/h5-18H,1-4H3
InChIKeyLNFWBQOBVCEMLU-UHFFFAOYSA-N
XLogP9.22
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.58
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine (CID 101453272) is 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine is COc1ccc(-c2cc(C(F)(F)F)nc(-c3ccc(-c4nc(C(F)(F)F)cc(-c5ccc(OC)cc5)c4OC)cc3)c2OC)cc1.
What is the InChIKey of 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine?
The InChIKey is LNFWBQOBVCEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26F6N2O4/c1-43-23-13-9-19(10-14-23)25-17-27(33(35,36)37)41-29(31(25)45-3)21-5-7-22(8-6-21)30-32(46-4)26(18-28(42-30)34(38,39)40)20-11-15-24(44-2)16-12-20/h5-18H,1-4H3.
What are the key properties of 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine?
3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine has a molecular weight of 640.58 g/mol, XLogP of 9.22, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-[3-methoxy-4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 101453272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).