9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one

C19H17NO — CID 10084787

IUPAC9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one
SMILESCC1(C)CC(=O)c2cnc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C19H17NO/c1-19(2)9-15-14-8-7-12-5-3-4-6-13(12)18(14)20-11-16(15)17(21)10-19/h3-8,11H,9-10H2,1-2H3
InChIKeyZNMRZYXUWFCOEF-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.54
Rot. Bonds

About 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one

9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one (PubChem CID 10084787) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one.

Molecular Properties

Compound Name9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one
PubChem CID10084787
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one
SMILESCC1(C)CC(=O)c2cnc3c(ccc4ccccc43)c2C1
InChIInChI=1S/C19H17NO/c1-19(2)9-15-14-8-7-12-5-3-4-6-13(12)18(14)20-11-16(15)17(21)10-19/h3-8,11H,9-10H2,1-2H3
InChIKeyZNMRZYXUWFCOEF-UHFFFAOYSA-N
XLogP4.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one?
The IUPAC name of 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one (CID 10084787) is 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one.
What is the SMILES notation for 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one?
The canonical SMILES for 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one is CC1(C)CC(=O)c2cnc3c(ccc4ccccc43)c2C1.
What is the InChIKey of 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one?
The InChIKey is ZNMRZYXUWFCOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO/c1-19(2)9-15-14-8-7-12-5-3-4-6-13(12)18(14)20-11-16(15)17(21)10-19/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one?
9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one has a molecular weight of 275.35 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-8,10-dihydrobenzo[c]phenanthridin-7-one is sourced from PubChem (CID 10084787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).