6-(4-chlorophenyl)-5-methyl-6H-phenanthridine

C20H16ClN — CID 59051726

IUPAC6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
SMILESCN1c2ccccc2-c2ccccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN/c1-22-19-9-5-4-7-17(19)16-6-2-3-8-18(16)20(22)14-10-12-15(21)13-11-14/h2-13,20H,1H3
InChIKeyHBTWWULYCANNSV-UHFFFAOYSA-N
MW305.81 g/mol
LogP5.55
Rot. Bonds1

About 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine

6-(4-chlorophenyl)-5-methyl-6H-phenanthridine (PubChem CID 59051726) has the molecular formula C20H16ClN and a molecular weight of 305.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
PubChem CID59051726
Molecular FormulaC20H16ClN
Molecular Weight305.81 g/mol
Exact Mass305.10
IUPAC Name6-(4-chlorophenyl)-5-methyl-6H-phenanthridine
SMILESCN1c2ccccc2-c2ccccc2C1c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN/c1-22-19-9-5-4-7-17(19)16-6-2-3-8-18(16)20(22)14-10-12-15(21)13-11-14/h2-13,20H,1H3
InChIKeyHBTWWULYCANNSV-UHFFFAOYSA-N
XLogP5.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.81
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-deuterio-5-methyl-6-phenylphenanthridine
CID 59051862
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3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924
3-(4-chlorophenyl)-2-(2-phenylethyl)-3H-isoindol-1-one
CID 70328600
2-(2-chlorophenyl)-1,3-dimethyl-2H-quinazolin-4-one
CID 3121405
7-chloro-1,4-dimethyl-5-phenyl-5H-1,4-benzodiazepine-2,3-dione
CID 72941624
(3S)-3-(4-chlorophenyl)-3H-2-benzofuran-1-one
CID 738147
2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-methyl-1,2-dihydrobenzimidazole
CID 2938029
(2R)-N-[(4-chlorophenyl)methyl]-2-methyl-N'-[(7R)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanediamide
CID 129362768
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
(2R,3R)-2-(4-chlorophenyl)-3-hydroxy-2,3-dihydroinden-1-one
CID 155678093

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine?
The IUPAC name of 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine (CID 59051726) is 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine.
What is the SMILES notation for 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine?
The canonical SMILES for 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine is CN1c2ccccc2-c2ccccc2C1c1ccc(Cl)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine?
The InChIKey is HBTWWULYCANNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN/c1-22-19-9-5-4-7-17(19)16-6-2-3-8-18(16)20(22)14-10-12-15(21)13-11-14/h2-13,20H,1H3.
What are the key properties of 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine?
6-(4-chlorophenyl)-5-methyl-6H-phenanthridine has a molecular weight of 305.81 g/mol, XLogP of 5.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-5-methyl-6H-phenanthridine is sourced from PubChem (CID 59051726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).