(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate

C38H27NO4 — CID 10053564

IUPAC(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate
SMILESO=C(NC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1)Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C38H27NO4/c40-37(42-35-31(27-15-5-1-6-16-27)23-13-24-32(35)28-17-7-2-8-18-28)39-38(41)43-36-33(29-19-9-3-10-20-29)25-14-26-34(36)30-21-11-4-12-22-30/h1-26H,(H,39,40,41)
InChIKeyJIBNAKNPXHCTBI-UHFFFAOYSA-N
MW561.64 g/mol
LogP9.64
Rot. Bonds6

About (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate

(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate (PubChem CID 10053564) has the molecular formula C38H27NO4 and a molecular weight of 561.64 g/mol. Its IUPAC name is (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate.

Molecular Properties

Compound Name(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate
PubChem CID10053564
Molecular FormulaC38H27NO4
Molecular Weight561.64 g/mol
Exact Mass561.19
IUPAC Name(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate
SMILESO=C(NC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1)Oc1c(-c2ccccc2)cccc1-c1ccccc1
InChIInChI=1S/C38H27NO4/c40-37(42-35-31(27-15-5-1-6-16-27)23-13-24-32(35)28-17-7-2-8-18-28)39-38(41)43-36-33(29-19-9-3-10-20-29)25-14-26-34(36)30-21-11-4-12-22-30/h1-26H,(H,39,40,41)
InChIKeyJIBNAKNPXHCTBI-UHFFFAOYSA-N
XLogP9.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.64
LogP ≤ 59.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-diphenylphenyl) methyl carbonate
CID 121292231
(2,6-diphenylphenyl) 2,2,3,3-tetramethylbutanoate
CID 59819121
phenyl N-phenoxycarbonylcarbamate
CID 11043392
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
CID 11694852
5-(2,6-diphenylphenoxy)-2,2,3,3,4,4-hexafluoro-5-oxopentanoate
CID 164747299
[2-(aminomethyl)-6-phenylphenyl] N-[(2,4-difluorophenyl)methyl]carbamate
CID 70128800
2-methoxy-1,3-diphenylbenzene
CID 23524590
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
4-(2,6-diphenylphenoxy)benzoic acid
CID 139330345
(2,6-diphenylphenyl) hexyl carbonate
CID 121296956
methyl 2-bromo-6-phenylbenzoate
CID 13352656
methyl hydrogen carbonate;2-phenylphenol
CID 67829227

Frequently Asked Questions

What is the IUPAC name of (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate?
The IUPAC name of (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate (CID 10053564) is (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate.
What is the SMILES notation for (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate?
The canonical SMILES for (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate is O=C(NC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1)Oc1c(-c2ccccc2)cccc1-c1ccccc1.
What is the InChIKey of (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate?
The InChIKey is JIBNAKNPXHCTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27NO4/c40-37(42-35-31(27-15-5-1-6-16-27)23-13-24-32(35)28-17-7-2-8-18-28)39-38(41)43-36-33(29-19-9-3-10-20-29)25-14-26-34(36)30-21-11-4-12-22-30/h1-26H,(H,39,40,41).
What are the key properties of (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate?
(2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate has a molecular weight of 561.64 g/mol, XLogP of 9.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diphenylphenyl) N-(2,6-diphenylphenoxy)carbonylcarbamate is sourced from PubChem (CID 10053564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).