[2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone

C44H28F2O2 — CID 54446622

IUPAC[2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone
SMILESO=C(c1cccc(-c2ccccc2)c1-c1ccccc1)c1c(F)c(F)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C44H28F2O2/c45-41-38(32-23-12-4-13-24-32)37(31-21-10-3-11-22-31)39(43(47)33-25-14-5-15-26-33)40(42(41)46)44(48)35-28-16-27-34(29-17-6-1-7-18-29)36(35)30-19-8-2-9-20-30/h1-28H
InChIKeyWRYXTCFMQOLWBW-UHFFFAOYSA-N
MW626.70 g/mol
LogP11.09
Rot. Bonds8

About [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone

[2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone (PubChem CID 54446622) has the molecular formula C44H28F2O2 and a molecular weight of 626.70 g/mol. Its IUPAC name is [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone
PubChem CID54446622
Molecular FormulaC44H28F2O2
Molecular Weight626.70 g/mol
Exact Mass626.21
IUPAC Name[2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone
SMILESO=C(c1cccc(-c2ccccc2)c1-c1ccccc1)c1c(F)c(F)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C44H28F2O2/c45-41-38(32-23-12-4-13-24-32)37(31-21-10-3-11-22-31)39(43(47)33-25-14-5-15-26-33)40(42(41)46)44(48)35-28-16-27-34(29-17-6-1-7-18-29)36(35)30-19-8-2-9-20-30/h1-28H
InChIKeyWRYXTCFMQOLWBW-UHFFFAOYSA-N
XLogP11.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.70
LogP ≤ 511.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone?
The IUPAC name of [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone (CID 54446622) is [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone.
What is the SMILES notation for [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone?
The canonical SMILES for [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone is O=C(c1cccc(-c2ccccc2)c1-c1ccccc1)c1c(F)c(F)c(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone?
The InChIKey is WRYXTCFMQOLWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F2O2/c45-41-38(32-23-12-4-13-24-32)37(31-21-10-3-11-22-31)39(43(47)33-25-14-5-15-26-33)40(42(41)46)44(48)35-28-16-27-34(29-17-6-1-7-18-29)36(35)30-19-8-2-9-20-30/h1-28H.
What are the key properties of [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone?
[2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone has a molecular weight of 626.70 g/mol, XLogP of 11.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-diphenylbenzoyl)-3,4-difluoro-5,6-diphenylphenyl]-phenylmethanone is sourced from PubChem (CID 54446622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).