[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate

C30H24N2O3 — CID 3683774

IUPAC[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(Oc1ccc(C=NNC(=O)C2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H24N2O3/c33-28(27-20-30(27,24-12-6-2-7-13-24)25-14-8-3-9-15-25)32-31-21-22-16-18-26(19-17-22)35-29(34)23-10-4-1-5-11-23/h1-19,21,27H,20H2,(H,32,33)
InChIKeyDTCOOFSXJIRQMM-UHFFFAOYSA-N
MW460.53 g/mol
LogP5.36
Rot. Bonds7

About [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate

[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 3683774) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
PubChem CID3683774
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Name[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(Oc1ccc(C=NNC(=O)C2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H24N2O3/c33-28(27-20-30(27,24-12-6-2-7-13-24)25-14-8-3-9-15-25)32-31-21-22-16-18-26(19-17-22)35-29(34)23-10-4-1-5-11-23/h1-19,21,27H,20H2,(H,32,33)
InChIKeyDTCOOFSXJIRQMM-UHFFFAOYSA-N
XLogP5.36
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4620113
2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 4177056
[3-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 3954958
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4051908
[4-[(Z)-[[3-[(2Z)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6088439
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
[4-[[[6-[2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]-6-oxohexanoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4631127
2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 162647013
(1S)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 6894206
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
[4-[(E)-[(2-fluorobenzoyl)hydrazinylidene]methyl]phenyl] benzoate
CID 25252626

Frequently Asked Questions

What is the IUPAC name of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate (CID 3683774) is [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate is O=C(Oc1ccc(C=NNC(=O)C2CC2(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is DTCOOFSXJIRQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c33-28(27-20-30(27,24-12-6-2-7-13-24)25-14-8-3-9-15-25)32-31-21-22-16-18-26(19-17-22)35-29(34)23-10-4-1-5-11-23/h1-19,21,27H,20H2,(H,32,33).
What are the key properties of [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate?
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 460.53 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 3683774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).