1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene

C37H26F2 — CID 176748618

IUPAC1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
SMILESFc1cccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C37H26F2/c38-35-15-7-9-29(25-35)27-17-21-33(22-18-27)37(31-11-3-1-4-12-31,32-13-5-2-6-14-32)34-23-19-28(20-24-34)30-10-8-16-36(39)26-30/h1-26H
InChIKeyJYXMRWGPPVFLJH-UHFFFAOYSA-N
MW508.61 g/mol
LogP9.68
Rot. Bonds6

About 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene

1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene (PubChem CID 176748618) has the molecular formula C37H26F2 and a molecular weight of 508.61 g/mol. Its IUPAC name is 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
PubChem CID176748618
Molecular FormulaC37H26F2
Molecular Weight508.61 g/mol
Exact Mass508.20
IUPAC Name1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene
SMILESFc1cccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1
InChIInChI=1S/C37H26F2/c38-35-15-7-9-29(25-35)27-17-21-33(22-18-27)37(31-11-3-1-4-12-31,32-13-5-2-6-14-32)34-23-19-28(20-24-34)30-10-8-16-36(39)26-30/h1-26H
InChIKeyJYXMRWGPPVFLJH-UHFFFAOYSA-N
XLogP9.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.61
LogP ≤ 59.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689
tris[4-(3-fluorophenyl)phenyl]-phenylsilane
CID 176748674
2-[4-[bis[4-(2,6-difluorophenyl)phenyl]-phenylmethyl]phenyl]-1,3-difluorobenzene
CID 176748685
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
2-[4-(3-fluorophenyl)phenyl]-2-methylpropan-1-amine
CID 82085168
2-[3-[4-(3-fluorophenyl)phenyl]phenyl]naphthalene
CID 171056204
4-(3-tritylphenyl)pyridine
CID 174423529
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene?
The IUPAC name of 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene (CID 176748618) is 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene.
What is the SMILES notation for 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene?
The canonical SMILES for 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene is Fc1cccc(-c2ccc(C(c3ccccc3)(c3ccccc3)c3ccc(-c4cccc(F)c4)cc3)cc2)c1.
What is the InChIKey of 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene?
The InChIKey is JYXMRWGPPVFLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26F2/c38-35-15-7-9-29(25-35)27-17-21-33(22-18-27)37(31-11-3-1-4-12-31,32-13-5-2-6-14-32)34-23-19-28(20-24-34)30-10-8-16-36(39)26-30/h1-26H.
What are the key properties of 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene?
1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene has a molecular weight of 508.61 g/mol, XLogP of 9.68, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[4-[[4-(3-fluorophenyl)phenyl]-diphenylmethyl]phenyl]benzene is sourced from PubChem (CID 176748618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).