1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine

C31H25N — CID 155930613

IUPAC1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine
SMILESCc1ccc2c3ccc(C)c4c(C)cc(/N=C/c5ccccc5)c(c5ccc(C)c1c25)c43
InChIInChI=1S/C31H25N/c1-18-10-13-23-24-14-11-20(3)28-21(4)16-26(32-17-22-8-6-5-7-9-22)30(31(24)28)25-15-12-19(2)27(18)29(23)25/h5-17H,1-4H3/b32-17+
InChIKeyDLEVKLSFEHNKSJ-VTNSRFBWSA-N
MW411.55 g/mol
LogP8.72
Rot. Bonds2

About 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine

1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine (PubChem CID 155930613) has the molecular formula C31H25N and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine
PubChem CID155930613
Molecular FormulaC31H25N
Molecular Weight411.55 g/mol
Exact Mass411.20
IUPAC Name1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine
SMILESCc1ccc2c3ccc(C)c4c(C)cc(/N=C/c5ccccc5)c(c5ccc(C)c1c25)c43
InChIInChI=1S/C31H25N/c1-18-10-13-23-24-14-11-20(3)28-21(4)16-26(32-17-22-8-6-5-7-9-22)30(31(24)28)25-15-12-19(2)27(18)29(23)25/h5-17H,1-4H3/b32-17+
InChIKeyDLEVKLSFEHNKSJ-VTNSRFBWSA-N
XLogP8.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 58.72
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine?
The IUPAC name of 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine (CID 155930613) is 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine.
What is the SMILES notation for 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine?
The canonical SMILES for 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine is Cc1ccc2c3ccc(C)c4c(C)cc(/N=C/c5ccccc5)c(c5ccc(C)c1c25)c43.
What is the InChIKey of 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine?
The InChIKey is DLEVKLSFEHNKSJ-VTNSRFBWSA-N. The full InChI is InChI=1S/C31H25N/c1-18-10-13-23-24-14-11-20(3)28-21(4)16-26(32-17-22-8-6-5-7-9-22)30(31(24)28)25-15-12-19(2)27(18)29(23)25/h5-17H,1-4H3/b32-17+.
What are the key properties of 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine?
1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine has a molecular weight of 411.55 g/mol, XLogP of 8.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3,4,9,10-tetramethylperylen-1-yl)methanimine is sourced from PubChem (CID 155930613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).