5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one

C29H29NO — CID 132505249

IUPAC5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one
SMILESCC1(C)CC(c2ccccc2)=C2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C1
InChIInChI=1S/C29H29NO/c1-28(2)18-24(22-14-8-5-9-15-22)26-23-16-10-11-17-25(23)30(27(31)29(26,3)20-28)19-21-12-6-4-7-13-21/h4-17H,18-20H2,1-3H3
InChIKeyZSPPCLCRRUSMGR-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.97
Rot. Bonds3

About 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one

5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one (PubChem CID 132505249) has the molecular formula C29H29NO and a molecular weight of 407.56 g/mol. Its IUPAC name is 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one.

Molecular Properties

Compound Name5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one
PubChem CID132505249
Molecular FormulaC29H29NO
Molecular Weight407.56 g/mol
Exact Mass407.22
IUPAC Name5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one
SMILESCC1(C)CC(c2ccccc2)=C2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C1
InChIInChI=1S/C29H29NO/c1-28(2)18-24(22-14-8-5-9-15-22)26-23-16-10-11-17-25(23)30(27(31)29(26,3)20-28)19-21-12-6-4-7-13-21/h4-17H,18-20H2,1-3H3
InChIKeyZSPPCLCRRUSMGR-UHFFFAOYSA-N
XLogP6.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.97
H-Bond Donors ≤ 50
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 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one?
The IUPAC name of 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one (CID 132505249) is 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one.
What is the SMILES notation for 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one?
The canonical SMILES for 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one is CC1(C)CC(c2ccccc2)=C2c3ccccc3N(Cc3ccccc3)C(=O)C2(C)C1.
What is the InChIKey of 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one?
The InChIKey is ZSPPCLCRRUSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO/c1-28(2)18-24(22-14-8-5-9-15-22)26-23-16-10-11-17-25(23)30(27(31)29(26,3)20-28)19-21-12-6-4-7-13-21/h4-17H,18-20H2,1-3H3.
What are the key properties of 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one?
5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one has a molecular weight of 407.56 g/mol, XLogP of 6.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6a,8,8-trimethyl-10-phenyl-7,9-dihydrophenanthridin-6-one is sourced from PubChem (CID 132505249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).