[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate

C34H23NO4 — CID 6535709

IUPAC[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C34H23NO4/c36-33-30-21-20-29(38-34(37)35(27-12-6-2-7-13-27)28-14-8-3-9-15-28)23-31(30)39-32(33)22-24-16-18-26(19-17-24)25-10-4-1-5-11-25/h1-23H/b32-22-
InChIKeyRYHNXMKXAOLMAZ-JDCMOKTRSA-N
MW509.56 g/mol
LogP8.31
Rot. Bonds5

About [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate

[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate (PubChem CID 6535709) has the molecular formula C34H23NO4 and a molecular weight of 509.56 g/mol. Its IUPAC name is [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate.

Molecular Properties

Compound Name[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate
PubChem CID6535709
Molecular FormulaC34H23NO4
Molecular Weight509.56 g/mol
Exact Mass509.16
IUPAC Name[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21
InChIInChI=1S/C34H23NO4/c36-33-30-21-20-29(38-34(37)35(27-12-6-2-7-13-27)28-14-8-3-9-15-28)23-31(30)39-32(33)22-24-16-18-26(19-17-24)25-10-4-1-5-11-25/h1-23H/b32-22-
InChIKeyRYHNXMKXAOLMAZ-JDCMOKTRSA-N
XLogP8.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.56
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[6-(diphenylcarbamoyloxy)-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
CID 5264826
[(2E)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] 2,2-dimethylpropanoate
CID 2021474
[3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 3512764
[3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] 3-phenylprop-2-enoate
CID 4022187
[2-[(2-fluorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 5264821
[2-(furan-2-ylmethylidene)-3-oxo-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 5009227
[2-methoxy-4-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] N,N-diphenylcarbamate
CID 18836015
[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] 2-methoxybenzoate
CID 2015493
(2-benzylidene-3-oxo-1-benzofuran-6-yl) N,N-diethylcarbamate
CID 5264966
[(2Z)-2-benzylidene-3-oxo-1-benzofuran-6-yl] N,N-diethylcarbamate
CID 6315981
[2-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-3-oxo-1-benzofuran-6-yl] N,N-diphenylcarbamate
CID 163065208
(2-benzylidene-3-oxo-1-benzofuran-6-yl) benzoate
CID 4272107

Frequently Asked Questions

What is the IUPAC name of [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate?
The IUPAC name of [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate (CID 6535709) is [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate.
What is the SMILES notation for [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate?
The canonical SMILES for [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate is O=C1/C(=C/c2ccc(-c3ccccc3)cc2)Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc21.
What is the InChIKey of [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate?
The InChIKey is RYHNXMKXAOLMAZ-JDCMOKTRSA-N. The full InChI is InChI=1S/C34H23NO4/c36-33-30-21-20-29(38-34(37)35(27-12-6-2-7-13-27)28-14-8-3-9-15-28)23-31(30)39-32(33)22-24-16-18-26(19-17-24)25-10-4-1-5-11-25/h1-23H/b32-22-.
What are the key properties of [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate?
[(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate has a molecular weight of 509.56 g/mol, XLogP of 8.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-6-yl] N,N-diphenylcarbamate is sourced from PubChem (CID 6535709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).