1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea

C28H26N2O — CID 59729041

IUPAC1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H26N2O/c31-28(30-26-18-16-23(17-19-26)22-10-4-1-5-11-22)29-21-20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20-21H2,(H2,29,30,31)
InChIKeyOBNCRHQEPUHSQY-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.70
Rot. Bonds7

About 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea

1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea (PubChem CID 59729041) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea
PubChem CID59729041
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C28H26N2O/c31-28(30-26-18-16-23(17-19-26)22-10-4-1-5-11-22)29-21-20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20-21H2,(H2,29,30,31)
InChIKeyOBNCRHQEPUHSQY-UHFFFAOYSA-N
XLogP6.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea (CID 59729041) is 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea is O=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea?
The InChIKey is OBNCRHQEPUHSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c31-28(30-26-18-16-23(17-19-26)22-10-4-1-5-11-22)29-21-20-27(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19,27H,20-21H2,(H2,29,30,31).
What are the key properties of 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea?
1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea has a molecular weight of 406.53 g/mol, XLogP of 6.70, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-diphenylpropyl)-3-(4-phenylphenyl)urea is sourced from PubChem (CID 59729041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).