5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine

C25H25N — CID 139108031

IUPAC5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine
SMILESCC1(C)Cc2ccccc2C(=C(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C25H25N/c1-25(2)17-21-15-9-10-16-22(21)23(18-26-25)24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,26H,17-18H2,1-2H3
InChIKeyRGMWVADOZUWOEB-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.57
Rot. Bonds2

About 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine

5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine (PubChem CID 139108031) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine.

Molecular Properties

Compound Name5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine
PubChem CID139108031
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine
SMILESCC1(C)Cc2ccccc2C(=C(c2ccccc2)c2ccccc2)CN1
InChIInChI=1S/C25H25N/c1-25(2)17-21-15-9-10-16-22(21)23(18-26-25)24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,26H,17-18H2,1-2H3
InChIKeyRGMWVADOZUWOEB-UHFFFAOYSA-N
XLogP5.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine?
The IUPAC name of 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine (CID 139108031) is 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine.
What is the SMILES notation for 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine?
The canonical SMILES for 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine is CC1(C)Cc2ccccc2C(=C(c2ccccc2)c2ccccc2)CN1.
What is the InChIKey of 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine?
The InChIKey is RGMWVADOZUWOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N/c1-25(2)17-21-15-9-10-16-22(21)23(18-26-25)24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,26H,17-18H2,1-2H3.
What are the key properties of 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine?
5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine has a molecular weight of 339.48 g/mol, XLogP of 5.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzhydrylidene-2,2-dimethyl-3,4-dihydro-1H-3-benzazepine is sourced from PubChem (CID 139108031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).