1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine

C28H24N2 — CID 2197917

IUPAC1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESCc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1C
InChIInChI=1S/C28H24N2/c1-21-11-3-5-13-23(21)19-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30-20-24-14-6-4-12-22(24)2/h3-20H,1-2H3/b29-19+,30-20+
InChIKeyHDYMCSGTWPNHMD-CZYCKNNWSA-N
MW388.51 g/mol
LogP7.47
Rot. Bonds5

About 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine

1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine (PubChem CID 2197917) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine.

Molecular Properties

Compound Name1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
PubChem CID2197917
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine
SMILESCc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1C
InChIInChI=1S/C28H24N2/c1-21-11-3-5-13-23(21)19-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30-20-24-14-6-4-12-22(24)2/h3-20H,1-2H3/b29-19+,30-20+
InChIKeyHDYMCSGTWPNHMD-CZYCKNNWSA-N
XLogP7.47
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine?
The IUPAC name of 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine (CID 2197917) is 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine.
What is the SMILES notation for 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine?
The canonical SMILES for 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine is Cc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1C.
What is the InChIKey of 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine?
The InChIKey is HDYMCSGTWPNHMD-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H24N2/c1-21-11-3-5-13-23(21)19-29-27-17-9-7-15-25(27)26-16-8-10-18-28(26)30-20-24-14-6-4-12-22(24)2/h3-20H,1-2H3/b29-19+,30-20+.
What are the key properties of 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine?
1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine has a molecular weight of 388.51 g/mol, XLogP of 7.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-N-[2-[2-[(2-methylphenyl)methylideneamino]phenyl]phenyl]methanimine is sourced from PubChem (CID 2197917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).