1,4-bis(2,2,2-triphenylethyl)benzene

C46H38 — CID 3555789

IUPAC1,4-bis(2,2,2-triphenylethyl)benzene
SMILESc1ccc(C(Cc2ccc(CC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H38/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-34H,35-36H2
InChIKeyWIZBXWPFLYVOTL-UHFFFAOYSA-N
MW590.81 g/mol
LogP10.84
Rot. Bonds10

About 1,4-bis(2,2,2-triphenylethyl)benzene

1,4-bis(2,2,2-triphenylethyl)benzene (PubChem CID 3555789) has the molecular formula C46H38 and a molecular weight of 590.81 g/mol. Its IUPAC name is 1,4-bis(2,2,2-triphenylethyl)benzene.

Molecular Properties

Compound Name1,4-bis(2,2,2-triphenylethyl)benzene
PubChem CID3555789
Molecular FormulaC46H38
Molecular Weight590.81 g/mol
Exact Mass590.30
IUPAC Name1,4-bis(2,2,2-triphenylethyl)benzene
SMILESc1ccc(C(Cc2ccc(CC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C46H38/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-34H,35-36H2
InChIKeyWIZBXWPFLYVOTL-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.81
LogP ≤ 510.84
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

4-[1-(4-carboxyphenyl)-1,2-diphenylethyl]benzoic acid
CID 139678861
2,2,2-triphenylethylphosphanium chloride
CID 21496958
2,2,2-triphenylethylsulfanium bromide
CID 172851267
1,1,2-triphenylethanamine;hydrobromide
CID 175347021
2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336
1,2,3-triphenylpropan-2-ylazanium chloride
CID 21496963
tris(2,2,2-triphenylethanolate);yttrium(3+)
CID 160643710
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
1-tert-butyl-4-(2,2-dibenzyl-3-phenylpropyl)benzene
CID 101188647
(4-ethylphenyl)-phenylmethanediamine
CID 139628675
3,3,3-triphenylpropan-1-amine
CID 10125450
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
CID 26793169

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,2,2-triphenylethyl)benzene?
The IUPAC name of 1,4-bis(2,2,2-triphenylethyl)benzene (CID 3555789) is 1,4-bis(2,2,2-triphenylethyl)benzene.
What is the SMILES notation for 1,4-bis(2,2,2-triphenylethyl)benzene?
The canonical SMILES for 1,4-bis(2,2,2-triphenylethyl)benzene is c1ccc(C(Cc2ccc(CC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,4-bis(2,2,2-triphenylethyl)benzene?
The InChIKey is WIZBXWPFLYVOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38/c1-7-19-39(20-8-1)45(40-21-9-2-10-22-40,41-23-11-3-12-24-41)35-37-31-33-38(34-32-37)36-46(42-25-13-4-14-26-42,43-27-15-5-16-28-43)44-29-17-6-18-30-44/h1-34H,35-36H2.
What are the key properties of 1,4-bis(2,2,2-triphenylethyl)benzene?
1,4-bis(2,2,2-triphenylethyl)benzene has a molecular weight of 590.81 g/mol, XLogP of 10.84, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(2,2,2-triphenylethyl)benzene is sourced from PubChem (CID 3555789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).