2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene

C43H26F6 — CID 176748685

IUPAC2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene
SMILESFc1cccc(F)c1-c1ccc(C(c2ccccc2)(c2ccc(-c3c(F)cccc3F)cc2)c2ccc(-c3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C43H26F6/c44-34-9-4-10-35(45)40(34)27-15-21-31(22-16-27)43(30-7-2-1-3-8-30,32-23-17-28(18-24-32)41-36(46)11-5-12-37(41)47)33-25-19-29(20-26-33)42-38(48)13-6-14-39(42)49/h1-26H
InChIKeyQHGZYALMGZTSFN-UHFFFAOYSA-N
MW656.67 g/mol
LogP11.90
Rot. Bonds7

About 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene

2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene (PubChem CID 176748685) has the molecular formula C43H26F6 and a molecular weight of 656.67 g/mol. Its IUPAC name is 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene
PubChem CID176748685
Molecular FormulaC43H26F6
Molecular Weight656.67 g/mol
Exact Mass656.19
IUPAC Name2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene
SMILESFc1cccc(F)c1-c1ccc(C(c2ccccc2)(c2ccc(-c3c(F)cccc3F)cc2)c2ccc(-c3c(F)cccc3F)cc2)cc1
InChIInChI=1S/C43H26F6/c44-34-9-4-10-35(45)40(34)27-15-21-31(22-16-27)43(30-7-2-1-3-8-30,32-23-17-28(18-24-32)41-36(46)11-5-12-37(41)47)33-25-19-29(20-26-33)42-38(48)13-6-14-39(42)49/h1-26H
InChIKeyQHGZYALMGZTSFN-UHFFFAOYSA-N
XLogP11.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.67
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene?
The IUPAC name of 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene (CID 176748685) is 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene?
The canonical SMILES for 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene is Fc1cccc(F)c1-c1ccc(C(c2ccccc2)(c2ccc(-c3c(F)cccc3F)cc2)c2ccc(-c3c(F)cccc3F)cc2)cc1.
What is the InChIKey of 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene?
The InChIKey is QHGZYALMGZTSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26F6/c44-34-9-4-10-35(45)40(34)27-15-21-31(22-16-27)43(30-7-2-1-3-8-30,32-23-17-28(18-24-32)41-36(46)11-5-12-37(41)47)33-25-19-29(20-26-33)42-38(48)13-6-14-39(42)49/h1-26H.
What are the key properties of 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene?
2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene has a molecular weight of 656.67 g/mol, XLogP of 11.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene is sourced from PubChem (CID 176748685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).