1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene

C32H22F6O2 — CID 134960392

IUPAC1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene
SMILESCOc1ccc(-c2cc3ccc(C(F)(F)F)cc3c(-c3ccc(OC)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C32H22F6O2/c1-39-25-13-6-19(7-14-25)27-17-22-5-12-24(32(36,37)38)18-28(22)30(21-8-15-26(40-2)16-9-21)29(27)20-3-10-23(11-4-20)31(33,34)35/h3-18H,1-2H3
InChIKeyNRHFLBFPXIDFOZ-UHFFFAOYSA-N
MW552.51 g/mol
LogP9.90
Rot. Bonds5

About 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene

1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene (PubChem CID 134960392) has the molecular formula C32H22F6O2 and a molecular weight of 552.51 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene
PubChem CID134960392
Molecular FormulaC32H22F6O2
Molecular Weight552.51 g/mol
Exact Mass552.15
IUPAC Name1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene
SMILESCOc1ccc(-c2cc3ccc(C(F)(F)F)cc3c(-c3ccc(OC)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C32H22F6O2/c1-39-25-13-6-19(7-14-25)27-17-22-5-12-24(32(36,37)38)18-28(22)30(21-8-15-26(40-2)16-9-21)29(27)20-3-10-23(11-4-20)31(33,34)35/h3-18H,1-2H3
InChIKeyNRHFLBFPXIDFOZ-UHFFFAOYSA-N
XLogP9.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.51
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene?
The IUPAC name of 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene (CID 134960392) is 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene is COc1ccc(-c2cc3ccc(C(F)(F)F)cc3c(-c3ccc(OC)cc3)c2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene?
The InChIKey is NRHFLBFPXIDFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F6O2/c1-39-25-13-6-19(7-14-25)27-17-22-5-12-24(32(36,37)38)18-28(22)30(21-8-15-26(40-2)16-9-21)29(27)20-3-10-23(11-4-20)31(33,34)35/h3-18H,1-2H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene?
1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene has a molecular weight of 552.51 g/mol, XLogP of 9.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)-7-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]naphthalene is sourced from PubChem (CID 134960392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).