(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine

C28H20N2O — CID 146166672

IUPAC(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine
SMILESc1ccc(C(=N/N=c2\oc(-c3ccccc3)cc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C28H20N2O/c1-4-12-21(13-5-1)26-20-24-18-10-11-19-25(24)28(31-26)30-29-27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H/b30-28-
InChIKeyUDFASCYECLXXEO-HYOGKJQXSA-N
MW400.48 g/mol
LogP6.45
Rot. Bonds4

About (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine

(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine (PubChem CID 146166672) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine.

Molecular Properties

Compound Name(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine
PubChem CID146166672
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine
SMILESc1ccc(C(=N/N=c2\oc(-c3ccccc3)cc3ccccc23)c2ccccc2)cc1
InChIInChI=1S/C28H20N2O/c1-4-12-21(13-5-1)26-20-24-18-10-11-19-25(24)28(31-26)30-29-27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H/b30-28-
InChIKeyUDFASCYECLXXEO-HYOGKJQXSA-N
XLogP6.45
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine?
The IUPAC name of (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine (CID 146166672) is (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine.
What is the SMILES notation for (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine?
The canonical SMILES for (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine is c1ccc(C(=N/N=c2\oc(-c3ccccc3)cc3ccccc23)c2ccccc2)cc1.
What is the InChIKey of (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine?
The InChIKey is UDFASCYECLXXEO-HYOGKJQXSA-N. The full InChI is InChI=1S/C28H20N2O/c1-4-12-21(13-5-1)26-20-24-18-10-11-19-25(24)28(31-26)30-29-27(22-14-6-2-7-15-22)23-16-8-3-9-17-23/h1-20H/b30-28-.
What are the key properties of (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine?
(Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine has a molecular weight of 400.48 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(benzhydrylideneamino)-3-phenylisochromen-1-imine is sourced from PubChem (CID 146166672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).