1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine

C24H19N3 — CID 67914439

IUPAC1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine
SMILESCC(/N=C1\c2cccc3cccc(c23)N1c1ccccc1)c1ccccn1
InChIInChI=1S/C24H19N3/c1-17(21-14-5-6-16-25-21)26-24-20-13-7-9-18-10-8-15-22(23(18)20)27(24)19-11-3-2-4-12-19/h2-17H,1H3/b26-24+
InChIKeyQYYXGVNFLVQRHQ-SHHOIMCASA-N
MW349.44 g/mol
LogP5.89
Rot. Bonds3

About 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine

1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine (PubChem CID 67914439) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine.

Molecular Properties

Compound Name1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine
PubChem CID67914439
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine
SMILESCC(/N=C1\c2cccc3cccc(c23)N1c1ccccc1)c1ccccn1
InChIInChI=1S/C24H19N3/c1-17(21-14-5-6-16-25-21)26-24-20-13-7-9-18-10-8-15-22(23(18)20)27(24)19-11-3-2-4-12-19/h2-17H,1H3/b26-24+
InChIKeyQYYXGVNFLVQRHQ-SHHOIMCASA-N
XLogP5.89
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.89
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-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine?
The IUPAC name of 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine (CID 67914439) is 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine.
What is the SMILES notation for 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine?
The canonical SMILES for 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine is CC(/N=C1\c2cccc3cccc(c23)N1c1ccccc1)c1ccccn1.
What is the InChIKey of 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine?
The InChIKey is QYYXGVNFLVQRHQ-SHHOIMCASA-N. The full InChI is InChI=1S/C24H19N3/c1-17(21-14-5-6-16-25-21)26-24-20-13-7-9-18-10-8-15-22(23(18)20)27(24)19-11-3-2-4-12-19/h2-17H,1H3/b26-24+.
What are the key properties of 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine?
1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine has a molecular weight of 349.44 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyridin-2-ylethyl)benzo[cd]indol-2-imine is sourced from PubChem (CID 67914439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).