6-deuterio-5-methyl-6-phenylphenanthridine

C20H17N — CID 59051862

IUPAC6-deuterio-5-methyl-6-phenylphenanthridine
SMILES[2H]C1(c2ccccc2)c2ccccc2-c2ccccc2N1C
InChIInChI=1S/C20H17N/c1-21-19-14-8-7-12-17(19)16-11-5-6-13-18(16)20(21)15-9-3-2-4-10-15/h2-14,20H,1H3/i20D
InChIKeyYWWACLTWAKOTIY-YVHRXSIGSA-N
MW272.37 g/mol
LogP4.89
Rot. Bonds1

About 6-deuterio-5-methyl-6-phenylphenanthridine

6-deuterio-5-methyl-6-phenylphenanthridine (PubChem CID 59051862) has the molecular formula C20H17N and a molecular weight of 272.37 g/mol. Its IUPAC name is 6-deuterio-5-methyl-6-phenylphenanthridine.

Molecular Properties

Compound Name6-deuterio-5-methyl-6-phenylphenanthridine
PubChem CID59051862
Molecular FormulaC20H17N
Molecular Weight272.37 g/mol
Exact Mass272.14
IUPAC Name6-deuterio-5-methyl-6-phenylphenanthridine
SMILES[2H]C1(c2ccccc2)c2ccccc2-c2ccccc2N1C
InChIInChI=1S/C20H17N/c1-21-19-14-8-7-12-17(19)16-11-5-6-13-18(16)20(21)15-9-3-2-4-10-15/h2-14,20H,1H3/i20D
InChIKeyYWWACLTWAKOTIY-YVHRXSIGSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
CID 59051726
5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one
CID 69033866
9-deuterio-9-methylfluorene
CID 169301704
9-phenyl-9H-fluorene
CID 13091
1-methyl-2-phenyl-3,4-dihydro-2H-quinoline-4-carbonitrile
CID 155930767
5-amino-7-methyl-7H-benzo[d][1]benzazepin-6-one;hydrochloride
CID 22288243
4-amino-2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 13308582
(7S)-5-methyl-7-propan-2-yl-7H-benzo[d][1]benzazepin-6-one
CID 58780288
(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
CID 38988807
6,13-dimethyl-13aH-quinazolino[2,3-a]phthalazine-5,8-dione
CID 91703871
2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121405
1,2,4-trimethyl-2H-quinoline
CID 19781411

Frequently Asked Questions

What is the IUPAC name of 6-deuterio-5-methyl-6-phenylphenanthridine?
The IUPAC name of 6-deuterio-5-methyl-6-phenylphenanthridine (CID 59051862) is 6-deuterio-5-methyl-6-phenylphenanthridine.
What is the SMILES notation for 6-deuterio-5-methyl-6-phenylphenanthridine?
The canonical SMILES for 6-deuterio-5-methyl-6-phenylphenanthridine is [2H]C1(c2ccccc2)c2ccccc2-c2ccccc2N1C.
What is the InChIKey of 6-deuterio-5-methyl-6-phenylphenanthridine?
The InChIKey is YWWACLTWAKOTIY-YVHRXSIGSA-N. The full InChI is InChI=1S/C20H17N/c1-21-19-14-8-7-12-17(19)16-11-5-6-13-18(16)20(21)15-9-3-2-4-10-15/h2-14,20H,1H3/i20D.
What are the key properties of 6-deuterio-5-methyl-6-phenylphenanthridine?
6-deuterio-5-methyl-6-phenylphenanthridine has a molecular weight of 272.37 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-deuterio-5-methyl-6-phenylphenanthridine is sourced from PubChem (CID 59051862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).