1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene

C34H30 — CID 142097141

IUPAC1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene
SMILESCC(c1ccccc1)c1cccc(-c2ccc(C(C)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C34H30/c1-26(27-13-6-3-7-14-27)29-15-12-16-30(25-29)28-21-23-33(24-22-28)34(2,31-17-8-4-9-18-31)32-19-10-5-11-20-32/h3-26H,1-2H3
InChIKeyRVAYYALNSJTKDZ-UHFFFAOYSA-N
MW438.61 g/mol
LogP8.86
Rot. Bonds6

About 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene

1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene (PubChem CID 142097141) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene
PubChem CID142097141
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene
SMILESCC(c1ccccc1)c1cccc(-c2ccc(C(C)(c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C34H30/c1-26(27-13-6-3-7-14-27)29-15-12-16-30(25-29)28-21-23-33(24-22-28)34(2,31-17-8-4-9-18-31)32-19-10-5-11-20-32/h3-26H,1-2H3
InChIKeyRVAYYALNSJTKDZ-UHFFFAOYSA-N
XLogP8.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 58.86
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-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
1-phenyl-4-[4-[1-(4-phenylphenyl)ethyl]phenyl]benzene
CID 174323056
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
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
1-phenylethylbenzene
CID 11918
1-phenylethylbenzene
CID 142851428
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106
1,1-diphenylethylbenzene;1-methyl-4-phenylbenzene;methyl(triphenyl)silane
CID 157135548
1-(4-phenylphenyl)ethane-1,1-diol
CID 67813476

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene?
The IUPAC name of 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene (CID 142097141) is 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene.
What is the SMILES notation for 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene?
The canonical SMILES for 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene is CC(c1ccccc1)c1cccc(-c2ccc(C(C)(c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene?
The InChIKey is RVAYYALNSJTKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-26(27-13-6-3-7-14-27)29-15-12-16-30(25-29)28-21-23-33(24-22-28)34(2,31-17-8-4-9-18-31)32-19-10-5-11-20-32/h3-26H,1-2H3.
What are the key properties of 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene?
1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene has a molecular weight of 438.61 g/mol, XLogP of 8.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-diphenylethyl)-4-[3-(1-phenylethyl)phenyl]benzene is sourced from PubChem (CID 142097141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).