[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate

C25H25NO2 — CID 11222499

IUPAC[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H25NO2/c27-25(26-23-14-5-2-6-15-23)28-24-16-8-13-22(18-24)21-12-7-11-20(17-21)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H,26,27)
InChIKeyYOLAGKHOMMBDQW-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.44
Rot. Bonds4

About [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate

[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate (PubChem CID 11222499) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate
PubChem CID11222499
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C25H25NO2/c27-25(26-23-14-5-2-6-15-23)28-24-16-8-13-22(18-24)21-12-7-11-20(17-21)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H,26,27)
InChIKeyYOLAGKHOMMBDQW-UHFFFAOYSA-N
XLogP6.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate (CID 11222499) is [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cccc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate?
The InChIKey is YOLAGKHOMMBDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25(26-23-14-5-2-6-15-23)28-24-16-8-13-22(18-24)21-12-7-11-20(17-21)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23H,2,5-6,14-15H2,(H,26,27).
What are the key properties of [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate?
[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate has a molecular weight of 371.48 g/mol, XLogP of 6.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11222499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).