4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one

C30H24N2O4 — CID 57391016

IUPAC4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESO=c1cc(/C=N\Nc2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
InChIInChI=1S/C30H24N2O4/c33-29-16-24(19-31-32-25-14-8-3-9-15-25)30-27(35-21-23-12-6-2-7-13-23)17-26(18-28(30)36-29)34-20-22-10-4-1-5-11-22/h1-19,32H,20-21H2/b31-19-
InChIKeyYYQDHJJEIKEIHR-DXJNIWACSA-N
MW476.53 g/mol
LogP6.40
Rot. Bonds9

About 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one

4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one (PubChem CID 57391016) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one.

Molecular Properties

Compound Name4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one
PubChem CID57391016
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESO=c1cc(/C=N\Nc2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1
InChIInChI=1S/C30H24N2O4/c33-29-16-24(19-31-32-25-14-8-3-9-15-25)30-27(35-21-23-12-6-2-7-13-23)17-26(18-28(30)36-29)34-20-22-10-4-1-5-11-22/h1-19,32H,20-21H2/b31-19-
InChIKeyYYQDHJJEIKEIHR-DXJNIWACSA-N
XLogP6.40
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The IUPAC name of 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one (CID 57391016) is 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one.
What is the SMILES notation for 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The canonical SMILES for 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one is O=c1cc(/C=N\Nc2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1.
What is the InChIKey of 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The InChIKey is YYQDHJJEIKEIHR-DXJNIWACSA-N. The full InChI is InChI=1S/C30H24N2O4/c33-29-16-24(19-31-32-25-14-8-3-9-15-25)30-27(35-21-23-12-6-2-7-13-23)17-26(18-28(30)36-29)34-20-22-10-4-1-5-11-22/h1-19,32H,20-21H2/b31-19-.
What are the key properties of 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one?
4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one has a molecular weight of 476.53 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(phenylhydrazinylidene)methyl]-5,7-bis(phenylmethoxy)chromen-2-one is sourced from PubChem (CID 57391016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).