1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine

C24H21N — CID 4644899

IUPAC1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c3ccccc3cc3ccccc23)c(C)c1
InChIInChI=1S/C24H21N/c1-16-12-17(2)24(18(3)13-16)25-15-23-21-10-6-4-8-19(21)14-20-9-5-7-11-22(20)23/h4-15H,1-3H3/b25-15+
InChIKeyXVQJQIMQTXPCIG-MFKUBSTISA-N
MW323.44 g/mol
LogP6.67
Rot. Bonds2

About 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine

1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine (PubChem CID 4644899) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine
PubChem CID4644899
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine
SMILESCc1cc(C)c(/N=C/c2c3ccccc3cc3ccccc23)c(C)c1
InChIInChI=1S/C24H21N/c1-16-12-17(2)24(18(3)13-16)25-15-23-21-10-6-4-8-19(21)14-20-9-5-7-11-22(20)23/h4-15H,1-3H3/b25-15+
InChIKeyXVQJQIMQTXPCIG-MFKUBSTISA-N
XLogP6.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine (CID 4644899) is 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine is Cc1cc(C)c(/N=C/c2c3ccccc3cc3ccccc23)c(C)c1.
What is the InChIKey of 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is XVQJQIMQTXPCIG-MFKUBSTISA-N. The full InChI is InChI=1S/C24H21N/c1-16-12-17(2)24(18(3)13-16)25-15-23-21-10-6-4-8-19(21)14-20-9-5-7-11-22(20)23/h4-15H,1-3H3/b25-15+.
What are the key properties of 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine?
1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 323.44 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 4644899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).