1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine

C20H18N2 — CID 71363076

IUPAC1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine
SMILESCc1ccccc1N=C1C=CC(=Nc2ccccc2C)C=C1
InChIInChI=1S/C20H18N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14H,1-2H3/b21-17-,22-18+
InChIKeyMKZFMTXVRUKZPN-QGFZOGOGSA-N
MW286.38 g/mol
LogP5.27
Rot. Bonds2

About 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine

1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine (PubChem CID 71363076) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine.

Molecular Properties

Compound Name1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine
PubChem CID71363076
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine
SMILESCc1ccccc1N=C1C=CC(=Nc2ccccc2C)C=C1
InChIInChI=1S/C20H18N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14H,1-2H3/b21-17-,22-18+
InChIKeyMKZFMTXVRUKZPN-QGFZOGOGSA-N
XLogP5.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine?
The IUPAC name of 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine (CID 71363076) is 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine.
What is the SMILES notation for 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine?
The canonical SMILES for 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine is Cc1ccccc1N=C1C=CC(=Nc2ccccc2C)C=C1.
What is the InChIKey of 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine?
The InChIKey is MKZFMTXVRUKZPN-QGFZOGOGSA-N. The full InChI is InChI=1S/C20H18N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14H,1-2H3/b21-17-,22-18+.
What are the key properties of 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine?
1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine has a molecular weight of 286.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2-methylphenyl)cyclohexa-2,5-diene-1,4-diimine is sourced from PubChem (CID 71363076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).