3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene

C46H30F4O2 — CID 164678418

IUPAC3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene
SMILESFc1cc(F)cc(-c2cc3ccccc3c(-c3c(OCc4ccccc4)c(-c4cc(F)cc(F)c4)cc4ccccc34)c2OCc2ccccc2)c1
InChIInChI=1S/C46H30F4O2/c47-35-19-33(20-36(48)25-35)41-23-31-15-7-9-17-39(31)43(45(41)51-27-29-11-3-1-4-12-29)44-40-18-10-8-16-32(40)24-42(34-21-37(49)26-38(50)22-34)46(44)52-28-30-13-5-2-6-14-30/h1-26H,27-28H2
InChIKeyYTFGPQZCLCWANY-UHFFFAOYSA-N
MW690.74 g/mol
LogP12.71
Rot. Bonds9

About 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene

3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene (PubChem CID 164678418) has the molecular formula C46H30F4O2 and a molecular weight of 690.74 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene
PubChem CID164678418
Molecular FormulaC46H30F4O2
Molecular Weight690.74 g/mol
Exact Mass690.22
IUPAC Name3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene
SMILESFc1cc(F)cc(-c2cc3ccccc3c(-c3c(OCc4ccccc4)c(-c4cc(F)cc(F)c4)cc4ccccc34)c2OCc2ccccc2)c1
InChIInChI=1S/C46H30F4O2/c47-35-19-33(20-36(48)25-35)41-23-31-15-7-9-17-39(31)43(45(41)51-27-29-11-3-1-4-12-29)44-40-18-10-8-16-32(40)24-42(34-21-37(49)26-38(50)22-34)46(44)52-28-30-13-5-2-6-14-30/h1-26H,27-28H2
InChIKeyYTFGPQZCLCWANY-UHFFFAOYSA-N
XLogP12.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.74
LogP ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene?
The IUPAC name of 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene (CID 164678418) is 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene.
What is the SMILES notation for 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene?
The canonical SMILES for 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene is Fc1cc(F)cc(-c2cc3ccccc3c(-c3c(OCc4ccccc4)c(-c4cc(F)cc(F)c4)cc4ccccc34)c2OCc2ccccc2)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene?
The InChIKey is YTFGPQZCLCWANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30F4O2/c47-35-19-33(20-36(48)25-35)41-23-31-15-7-9-17-39(31)43(45(41)51-27-29-11-3-1-4-12-29)44-40-18-10-8-16-32(40)24-42(34-21-37(49)26-38(50)22-34)46(44)52-28-30-13-5-2-6-14-30/h1-26H,27-28H2.
What are the key properties of 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene?
3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene has a molecular weight of 690.74 g/mol, XLogP of 12.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-1-[3-(3,5-difluorophenyl)-2-phenylmethoxynaphthalen-1-yl]-2-phenylmethoxynaphthalene is sourced from PubChem (CID 164678418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).