1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine

C27H19N3 — CID 4093510

IUPAC1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine
SMILESC(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H19N3/c1-2-10-23(11-3-1)29-30-24-16-14-22(15-17-24)28-19-27-25-12-6-4-8-20(25)18-21-9-5-7-13-26(21)27/h1-19H/b28-19+,30-29+
InChIKeyFEHMVYCMCCHJNH-DOJSKZQGSA-N
MW385.47 g/mol
LogP8.16
Rot. Bonds4

About 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine

1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine (PubChem CID 4093510) has the molecular formula C27H19N3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine.

Molecular Properties

Compound Name1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine
PubChem CID4093510
Molecular FormulaC27H19N3
Molecular Weight385.47 g/mol
Exact Mass385.16
IUPAC Name1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine
SMILESC(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12
InChIInChI=1S/C27H19N3/c1-2-10-23(11-3-1)29-30-24-16-14-22(15-17-24)28-19-27-25-12-6-4-8-20(25)18-21-9-5-7-13-26(21)27/h1-19H/b28-19+,30-29+
InChIKeyFEHMVYCMCCHJNH-DOJSKZQGSA-N
XLogP8.16
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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-(4-phenyldiazenylphenyl)methanimine?
The IUPAC name of 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine (CID 4093510) is 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine.
What is the SMILES notation for 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine?
The canonical SMILES for 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine is C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine?
The InChIKey is FEHMVYCMCCHJNH-DOJSKZQGSA-N. The full InChI is InChI=1S/C27H19N3/c1-2-10-23(11-3-1)29-30-24-16-14-22(15-17-24)28-19-27-25-12-6-4-8-20(25)18-21-9-5-7-13-26(21)27/h1-19H/b28-19+,30-29+.
What are the key properties of 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine?
1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine has a molecular weight of 385.47 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-9-yl-N-(4-phenyldiazenylphenyl)methanimine is sourced from PubChem (CID 4093510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).