7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole

C20H22S — CID 169030116

IUPAC7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C20H22S/c1-19(2)9-10-20(3,4)16-12-18-14(11-15(16)19)13-7-5-6-8-17(13)21-18/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNMTNRZMOFMZVKF-UHFFFAOYSA-N
MW294.46 g/mol
LogP6.40
Rot. Bonds

About 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole

7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole (PubChem CID 169030116) has the molecular formula C20H22S and a molecular weight of 294.46 g/mol. Its IUPAC name is 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole.

Molecular Properties

Compound Name7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
PubChem CID169030116
Molecular FormulaC20H22S
Molecular Weight294.46 g/mol
Exact Mass294.14
IUPAC Name7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)sc1ccccc13
InChIInChI=1S/C20H22S/c1-19(2)9-10-20(3,4)16-12-18-14(11-15(16)19)13-7-5-6-8-17(13)21-18/h5-8,11-12H,9-10H2,1-4H3
InChIKeyNMTNRZMOFMZVKF-UHFFFAOYSA-N
XLogP6.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.46
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4,7,7-tetramethyl-12-phenyl-17-thia-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene
CID 170678790
24-dibenzothiophen-2-yl-17,17,20,20-tetramethyl-3-phenyl-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.016,21]tetracosa-1(13),2(10),4,6,8,11,14,16(21),22-nonaene
CID 177086967
3-(9-dibenzothiophen-3-ylcarbazol-3-yl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazole
CID 170277812
2-dibenzothiophen-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3,5-triazine
CID 171749128
bis(dibenzothiophene);ethane
CID 143921746
7-(4-tert-butylnaphthalen-2-yl)-16,16,19,19-tetramethyl-12-thia-6-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
CID 170678326
7,7,9-trimethylfluoreno[2,3-b][1]benzothiole
CID 129267057
14-dibenzothiophen-2-yl-22,22,25,25-tetramethyl-18-phenyl-14,18-diazaheptacyclo[15.11.0.03,15.04,13.05,10.019,28.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,19,21(26),27-undecaene
CID 177087168
28-(4-dibenzothiophen-3-ylphenyl)-21,21,24,24-tetramethyl-3-phenyl-3,28-diazaheptacyclo[15.11.0.02,10.04,9.011,16.018,27.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,18,20(25),26-undecaene
CID 177086594
17,21,21-trimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 146250045
dibenzothiophene;methane
CID 162233710
[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-3,5-bis(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-triphenylgermane
CID 176724280

Frequently Asked Questions

What is the IUPAC name of 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole?
The IUPAC name of 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole (CID 169030116) is 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole.
What is the SMILES notation for 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole?
The canonical SMILES for 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole is CC1(C)CCC(C)(C)c2cc3c(cc21)sc1ccccc13.
What is the InChIKey of 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole?
The InChIKey is NMTNRZMOFMZVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22S/c1-19(2)9-10-20(3,4)16-12-18-14(11-15(16)19)13-7-5-6-8-17(13)21-18/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole?
7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole has a molecular weight of 294.46 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,10,10-tetramethyl-8,9-dihydronaphtho[2,3-b][1]benzothiole is sourced from PubChem (CID 169030116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).