[2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone

C44H28F2O2 — CID 53433869

IUPAC[2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(C(=O)c2ccc(F)cc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C44H28F2O2/c45-35-25-21-33(22-26-35)43(47)41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)42(41)44(48)34-23-27-36(46)28-24-34/h1-28H
InChIKeyHKINRCRKYJOMPF-UHFFFAOYSA-N
MW626.70 g/mol
LogP11.09
Rot. Bonds8

About [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone

[2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone (PubChem CID 53433869) has the molecular formula C44H28F2O2 and a molecular weight of 626.70 g/mol. Its IUPAC name is [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone
PubChem CID53433869
Molecular FormulaC44H28F2O2
Molecular Weight626.70 g/mol
Exact Mass626.21
IUPAC Name[2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1c(C(=O)c2ccc(F)cc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C44H28F2O2/c45-35-25-21-33(22-26-35)43(47)41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)42(41)44(48)34-23-27-36(46)28-24-34/h1-28H
InChIKeyHKINRCRKYJOMPF-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-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone (CID 53433869) is [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1c(C(=O)c2ccc(F)cc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone?
The InChIKey is HKINRCRKYJOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F2O2/c45-35-25-21-33(22-26-35)43(47)41-39(31-17-9-3-10-18-31)37(29-13-5-1-6-14-29)38(30-15-7-2-8-16-30)40(32-19-11-4-12-20-32)42(41)44(48)34-23-27-36(46)28-24-34/h1-28H.
What are the key properties of [2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone?
[2-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone 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-(4-fluorobenzoyl)-3,4,5,6-tetraphenylphenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 53433869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).