11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

C22H20N2OS — CID 624106

IUPAC11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccs1
InChIInChI=1S/C22H20N2OS/c1-22(2)11-14-19-13-5-3-9-23-15(13)7-8-16(19)24-21(18-6-4-10-26-18)20(14)17(25)12-22/h3-10,21,24H,11-12H2,1-2H3
InChIKeyHLKVWOSDISGZTF-UHFFFAOYSA-N
MW360.48 g/mol
LogP5.61
Rot. Bonds1

About 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one

11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (PubChem CID 624106) has the molecular formula C22H20N2OS and a molecular weight of 360.48 g/mol. Its IUPAC name is 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
PubChem CID624106
Molecular FormulaC22H20N2OS
Molecular Weight360.48 g/mol
Exact Mass360.13
IUPAC Name11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
SMILESCC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccs1
InChIInChI=1S/C22H20N2OS/c1-22(2)11-14-19-13-5-3-9-23-15(13)7-8-16(19)24-21(18-6-4-10-26-18)20(14)17(25)12-22/h3-10,21,24H,11-12H2,1-2H3
InChIKeyHLKVWOSDISGZTF-UHFFFAOYSA-N
XLogP5.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one with MolForge

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Related Compounds

8-Thiophen-2-yl-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 619417
8-(3-methylthiophen-2-yl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 619419
11,11-Dimethyl-8-(3-methylthiophen-2-yl)-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one
CID 624107
(2E)-3-(Quinolin-4-YL)-1-(thiophen-2-YL)prop-2-EN-1-one
CID 5739531
2-Ethylsulfanylcarbothioylsulfanyl-1-[5-[5-[(quinolin-3-ylamino)methyl]-2-pyridinyl]thiophen-2-yl]ethanone
CID 24895117
8-[4-(Diethylamino)phenyl]-11,11-dimethyl-7H,8H,9H,10H,11H,12H-cyclohexa[A]4,7-phenanthrolin-9-one
CID 6618250
7-Thiophen-2-yl-3,6-dihydropyrrolo[3,2-f]quinolin-9-one
CID 11715929
8-(4-fluorophenyl)-11,11-dimethyl-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
CID 2900067
8-(2-Fluorophenyl)-11,11-dimethyl-7H,8H,9H,10H,11H,12H-cyclohexa[A]4,7-phenanthrolin-9-one
CID 4245423
8-(4-isopropylphenyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
CID 3124948
8-(2-Methylphenyl)-7,8,10,11,12-pentahydropyridino[3,2-a]phenanthridin-9-one
CID 619386
11,11-Dimethyl-8-(3-pyridinyl)-8,10,11,12-tetrahydrobenzo[a][4,7]phenanthrolin-9(7H)-one
CID 624078

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one (CID 624106) is 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc13)NC2c1cccs1.
What is the InChIKey of 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
The InChIKey is HLKVWOSDISGZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2OS/c1-22(2)11-14-19-13-5-3-9-23-15(13)7-8-16(19)24-21(18-6-4-10-26-18)20(14)17(25)12-22/h3-10,21,24H,11-12H2,1-2H3.
What are the key properties of 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one?
11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one has a molecular weight of 360.48 g/mol, XLogP of 5.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-8-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 624106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).