2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine

C23H20N2 — CID 5340070

IUPAC2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
SMILESC(=C/c1ccccc1)\C1=Nc2ccccc2NC(c2ccccc2)C1
InChIInChI=1S/C23H20N2/c1-3-9-18(10-4-1)15-16-20-17-23(19-11-5-2-6-12-19)25-22-14-8-7-13-21(22)24-20/h1-16,23,25H,17H2/b16-15+
InChIKeyHIJJQPUEFHMHDP-FOCLMDBBSA-N
MW324.43 g/mol
LogP6.03
Rot. Bonds3

About 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine

2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 5340070) has the molecular formula C23H20N2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID5340070
Molecular FormulaC23H20N2
Molecular Weight324.43 g/mol
Exact Mass324.16
IUPAC Name2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine
SMILESC(=C/c1ccccc1)\C1=Nc2ccccc2NC(c2ccccc2)C1
InChIInChI=1S/C23H20N2/c1-3-9-18(10-4-1)15-16-20-17-23(19-11-5-2-6-12-19)25-22-14-8-7-13-21(22)24-20/h1-16,23,25H,17H2/b16-15+
InChIKeyHIJJQPUEFHMHDP-FOCLMDBBSA-N
XLogP6.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.43
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine (CID 5340070) is 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine is C(=C/c1ccccc1)\C1=Nc2ccccc2NC(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is HIJJQPUEFHMHDP-FOCLMDBBSA-N. The full InChI is InChI=1S/C23H20N2/c1-3-9-18(10-4-1)15-16-20-17-23(19-11-5-2-6-12-19)25-22-14-8-7-13-21(22)24-20/h1-16,23,25H,17H2/b16-15+.
What are the key properties of 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine?
2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 324.43 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(E)-2-phenylethenyl]-2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 5340070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).