(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine

C32H32N2 — CID 134887764

IUPAC(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine
SMILESCc1cccc(Cc2ccccc2/C=N/N=C/c2ccccc2Cc2cccc(C)c2C)c1C
InChIInChI=1S/C32H32N2/c1-23-11-9-17-27(25(23)3)19-29-13-5-7-15-31(29)21-33-34-22-32-16-8-6-14-30(32)20-28-18-10-12-24(2)26(28)4/h5-18,21-22H,19-20H2,1-4H3/b33-21+,34-22+
InChIKeyHMKSCMSNZAEDAC-WXGDAXOSSA-N
MW444.62 g/mol
LogP7.55
Rot. Bonds7

About (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine

(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine (PubChem CID 134887764) has the molecular formula C32H32N2 and a molecular weight of 444.62 g/mol. Its IUPAC name is (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine
PubChem CID134887764
Molecular FormulaC32H32N2
Molecular Weight444.62 g/mol
Exact Mass444.26
IUPAC Name(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine
SMILESCc1cccc(Cc2ccccc2/C=N/N=C/c2ccccc2Cc2cccc(C)c2C)c1C
InChIInChI=1S/C32H32N2/c1-23-11-9-17-27(25(23)3)19-29-13-5-7-15-31(29)21-33-34-22-32-16-8-6-14-30(32)20-28-18-10-12-24(2)26(28)4/h5-18,21-22H,19-20H2,1-4H3/b33-21+,34-22+
InChIKeyHMKSCMSNZAEDAC-WXGDAXOSSA-N
XLogP7.55
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.62
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine (CID 134887764) is (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine is Cc1cccc(Cc2ccccc2/C=N/N=C/c2ccccc2Cc2cccc(C)c2C)c1C.
What is the InChIKey of (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine?
The InChIKey is HMKSCMSNZAEDAC-WXGDAXOSSA-N. The full InChI is InChI=1S/C32H32N2/c1-23-11-9-17-27(25(23)3)19-29-13-5-7-15-31(29)21-33-34-22-32-16-8-6-14-30(32)20-28-18-10-12-24(2)26(28)4/h5-18,21-22H,19-20H2,1-4H3/b33-21+,34-22+.
What are the key properties of (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine?
(E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine has a molecular weight of 444.62 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[2-[(2,3-dimethylphenyl)methyl]phenyl]-N-[(E)-[2-[(2,3-dimethylphenyl)methyl]phenyl]methylideneamino]methanimine is sourced from PubChem (CID 134887764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).