4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine

C29H25N3O — CID 140654065

IUPAC4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine
SMILESCN1CCOC(=N\c2ccc(-c3ccccc3)cc2)/C1=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25N3O/c1-32-20-21-33-29(31-27-18-14-25(15-19-27)23-10-6-3-7-11-23)28(32)30-26-16-12-24(13-17-26)22-8-4-2-5-9-22/h2-19H,20-21H2,1H3/b30-28+,31-29-
InChIKeyBQBVEJBHFOKDLZ-MCDSGTGBSA-N
MW431.54 g/mol
LogP6.74
Rot. Bonds4

About 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine

4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine (PubChem CID 140654065) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine.

Molecular Properties

Compound Name4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine
PubChem CID140654065
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine
SMILESCN1CCOC(=N\c2ccc(-c3ccccc3)cc2)/C1=N\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H25N3O/c1-32-20-21-33-29(31-27-18-14-25(15-19-27)23-10-6-3-7-11-23)28(32)30-26-16-12-24(13-17-26)22-8-4-2-5-9-22/h2-19H,20-21H2,1H3/b30-28+,31-29-
InChIKeyBQBVEJBHFOKDLZ-MCDSGTGBSA-N
XLogP6.74
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine?
The IUPAC name of 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine (CID 140654065) is 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine.
What is the SMILES notation for 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine?
The canonical SMILES for 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine is CN1CCOC(=N\c2ccc(-c3ccccc3)cc2)/C1=N\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine?
The InChIKey is BQBVEJBHFOKDLZ-MCDSGTGBSA-N. The full InChI is InChI=1S/C29H25N3O/c1-32-20-21-33-29(31-27-18-14-25(15-19-27)23-10-6-3-7-11-23)28(32)30-26-16-12-24(13-17-26)22-8-4-2-5-9-22/h2-19H,20-21H2,1H3/b30-28+,31-29-.
What are the key properties of 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine?
4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine has a molecular weight of 431.54 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N,3-N-bis(4-phenylphenyl)morpholine-2,3-diimine is sourced from PubChem (CID 140654065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).