4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one

C30H24N2O4 — CID 57394535

IUPAC4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESNc1ccccc1/N=C/c1cc(=O)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12
InChIInChI=1S/C30H24N2O4/c31-25-13-7-8-14-26(25)32-18-23-15-29(33)36-28-17-24(34-19-21-9-3-1-4-10-21)16-27(30(23)28)35-20-22-11-5-2-6-12-22/h1-18H,19-20,31H2/b32-18+
InChIKeyANZMBOJNYIPIHN-KCSSXMTESA-N
MW476.53 g/mol
LogP6.28
Rot. Bonds8

About 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one

4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one (PubChem CID 57394535) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one.

Molecular Properties

Compound Name4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
PubChem CID57394535
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one
SMILESNc1ccccc1/N=C/c1cc(=O)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12
InChIInChI=1S/C30H24N2O4/c31-25-13-7-8-14-26(25)32-18-23-15-29(33)36-28-17-24(34-19-21-9-3-1-4-10-21)16-27(30(23)28)35-20-22-11-5-2-6-12-22/h1-18H,19-20,31H2/b32-18+
InChIKeyANZMBOJNYIPIHN-KCSSXMTESA-N
XLogP6.28
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The IUPAC name of 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one (CID 57394535) is 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one.
What is the SMILES notation for 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The canonical SMILES for 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one is Nc1ccccc1/N=C/c1cc(=O)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12.
What is the InChIKey of 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
The InChIKey is ANZMBOJNYIPIHN-KCSSXMTESA-N. The full InChI is InChI=1S/C30H24N2O4/c31-25-13-7-8-14-26(25)32-18-23-15-29(33)36-28-17-24(34-19-21-9-3-1-4-10-21)16-27(30(23)28)35-20-22-11-5-2-6-12-22/h1-18H,19-20,31H2/b32-18+.
What are the key properties of 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one?
4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one has a molecular weight of 476.53 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-aminophenyl)iminomethyl]-5,7-bis(phenylmethoxy)chromen-2-one is sourced from PubChem (CID 57394535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).