N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine

C34H24N2O2 — CID 91745797

IUPACN-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine
SMILESc1ccc(-c2cc(=NN=c3cc(-c4ccccc4)oc(-c4ccccc4)c3)cc(-c3ccccc3)o2)cc1
InChIInChI=1S/C34H24N2O2/c1-5-13-25(14-6-1)31-21-29(22-32(37-31)26-15-7-2-8-16-26)35-36-30-23-33(27-17-9-3-10-18-27)38-34(24-30)28-19-11-4-12-20-28/h1-24H
InChIKeyLGCPGVBNUADWIK-UHFFFAOYSA-N
MW492.58 g/mol
LogP7.96
Rot. Bonds5

About N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine

N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine (PubChem CID 91745797) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine.

Molecular Properties

Compound NameN-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine
PubChem CID91745797
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC NameN-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine
SMILESc1ccc(-c2cc(=NN=c3cc(-c4ccccc4)oc(-c4ccccc4)c3)cc(-c3ccccc3)o2)cc1
InChIInChI=1S/C34H24N2O2/c1-5-13-25(14-6-1)31-21-29(22-32(37-31)26-15-7-2-8-16-26)35-36-30-23-33(27-17-9-3-10-18-27)38-34(24-30)28-19-11-4-12-20-28/h1-24H
InChIKeyLGCPGVBNUADWIK-UHFFFAOYSA-N
XLogP7.96
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine?
The IUPAC name of N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine (CID 91745797) is N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine.
What is the SMILES notation for N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine?
The canonical SMILES for N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine is c1ccc(-c2cc(=NN=c3cc(-c4ccccc4)oc(-c4ccccc4)c3)cc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine?
The InChIKey is LGCPGVBNUADWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2/c1-5-13-25(14-6-1)31-21-29(22-32(37-31)26-15-7-2-8-16-26)35-36-30-23-33(27-17-9-3-10-18-27)38-34(24-30)28-19-11-4-12-20-28/h1-24H.
What are the key properties of N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine?
N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine has a molecular weight of 492.58 g/mol, XLogP of 7.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-diphenylpyran-4-ylidene)amino]-2,6-diphenylpyran-4-imine is sourced from PubChem (CID 91745797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).