9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine

C21H21N — CID 134913888

IUPAC9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine
SMILESCC1(C)CCc2c(-c3ccccc3)nc3ccccc3c2C1
InChIInChI=1S/C21H21N/c1-21(2)13-12-17-18(14-21)16-10-6-7-11-19(16)22-20(17)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyYIAIVIINIAPENQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.42
Rot. Bonds1

About 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine

9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine (PubChem CID 134913888) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine.

Molecular Properties

Compound Name9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine
PubChem CID134913888
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine
SMILESCC1(C)CCc2c(-c3ccccc3)nc3ccccc3c2C1
InChIInChI=1S/C21H21N/c1-21(2)13-12-17-18(14-21)16-10-6-7-11-19(16)22-20(17)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
InChIKeyYIAIVIINIAPENQ-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine?
The IUPAC name of 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine (CID 134913888) is 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine.
What is the SMILES notation for 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine?
The canonical SMILES for 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine is CC1(C)CCc2c(-c3ccccc3)nc3ccccc3c2C1.
What is the InChIKey of 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine?
The InChIKey is YIAIVIINIAPENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-21(2)13-12-17-18(14-21)16-10-6-7-11-19(16)22-20(17)15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3.
What are the key properties of 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine?
9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine has a molecular weight of 287.41 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-6-phenyl-8,10-dihydro-7H-phenanthridine is sourced from PubChem (CID 134913888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).