2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine

C20H17N — CID 162372540

IUPAC2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine
SMILESC1=C(c2ccccc2)CCNc2ccc3ccccc3c21
InChIInChI=1S/C20H17N/c1-2-6-15(7-3-1)17-12-13-21-20-11-10-16-8-4-5-9-18(16)19(20)14-17/h1-11,14,21H,12-13H2
InChIKeyBKUAQJDRCKGJCL-UHFFFAOYSA-N
MW271.36 g/mol
LogP5.20
Rot. Bonds1

About 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine

2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine (PubChem CID 162372540) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine.

Molecular Properties

Compound Name2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine
PubChem CID162372540
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine
SMILESC1=C(c2ccccc2)CCNc2ccc3ccccc3c21
InChIInChI=1S/C20H17N/c1-2-6-15(7-3-1)17-12-13-21-20-11-10-16-8-4-5-9-18(16)19(20)14-17/h1-11,14,21H,12-13H2
InChIKeyBKUAQJDRCKGJCL-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine?
The IUPAC name of 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine (CID 162372540) is 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine.
What is the SMILES notation for 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine?
The canonical SMILES for 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine is C1=C(c2ccccc2)CCNc2ccc3ccccc3c21.
What is the InChIKey of 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine?
The InChIKey is BKUAQJDRCKGJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N/c1-2-6-15(7-3-1)17-12-13-21-20-11-10-16-8-4-5-9-18(16)19(20)14-17/h1-11,14,21H,12-13H2.
What are the key properties of 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine?
2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine has a molecular weight of 271.36 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4,5-dihydro-3H-benzo[g][1]benzazepine is sourced from PubChem (CID 162372540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).