(3,5-diphenylphenyl) N-tert-butylcarbamate

C23H23NO2 — CID 44572208

IUPAC(3,5-diphenylphenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-23(2,3)24-22(25)26-21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3,(H,24,25)
InChIKeyGSWQELSBISKQCA-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.91
Rot. Bonds3

About (3,5-diphenylphenyl) N-tert-butylcarbamate

(3,5-diphenylphenyl) N-tert-butylcarbamate (PubChem CID 44572208) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3,5-diphenylphenyl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(3,5-diphenylphenyl) N-tert-butylcarbamate
PubChem CID44572208
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(3,5-diphenylphenyl) N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C23H23NO2/c1-23(2,3)24-22(25)26-21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3,(H,24,25)
InChIKeyGSWQELSBISKQCA-UHFFFAOYSA-N
XLogP5.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Promecarb
CID 17516
Butacarb
CID 17564
Phenol, 3,5-bis(1-methylethyl)-, 1-(N-methylcarbamate)
CID 9503
Fenethacarb
CID 34810
Cyclohexylcarbamic acid biphenyl-3-yl ester
CID 10108554
Cyclopentylcarbamic Acid Biphenyl-3-yl Ester
CID 24881674
6-Methyl[1,1'-biphenyl]-3-yl cyclohexylcarbamate
CID 58801126
Cyclohexyl-carbamic acid 3-pentyl-phenyl ester
CID 11140803
Cyclohexyl-carbamic acid 3''''-fluoro-biphenyl-3-yl ester
CID 11174440
Cyclohexyl-carbamic acid 3''''-methyl-biphenyl-3-yl ester
CID 11197633
[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate
CID 11222499
Cyclohexyl-carbamic acid 4''''-fluoro-biphenyl-3-yl ester
CID 11347517

Frequently Asked Questions

What is the IUPAC name of (3,5-diphenylphenyl) N-tert-butylcarbamate?
The IUPAC name of (3,5-diphenylphenyl) N-tert-butylcarbamate (CID 44572208) is (3,5-diphenylphenyl) N-tert-butylcarbamate.
What is the SMILES notation for (3,5-diphenylphenyl) N-tert-butylcarbamate?
The canonical SMILES for (3,5-diphenylphenyl) N-tert-butylcarbamate is CC(C)(C)NC(=O)Oc1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of (3,5-diphenylphenyl) N-tert-butylcarbamate?
The InChIKey is GSWQELSBISKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2,3)24-22(25)26-21-15-19(17-10-6-4-7-11-17)14-20(16-21)18-12-8-5-9-13-18/h4-16H,1-3H3,(H,24,25).
What are the key properties of (3,5-diphenylphenyl) N-tert-butylcarbamate?
(3,5-diphenylphenyl) N-tert-butylcarbamate has a molecular weight of 345.44 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diphenylphenyl) N-tert-butylcarbamate is sourced from PubChem (CID 44572208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).