2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane

C105H108S6Se2Si — CID 159175605

IUPAC2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane
SMILESC.C.C.C.Cc1cc2c(-c3ccc(C)[se]3)c3sc(C)cc3c(-c3ccc(C)[se]3)c2s1.Cc1ccc(-c2c3cc(C)sc3c(-c3ccc(C)s3)c3cc(C)sc23)s1.Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H28.C28H28Si.C22H18S4.C22H18S2Se2.4CH4/c2*1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-11-5-7-17(23-11)19-15-9-13(3)26-22(15)20(18-8-6-12(2)24-18)16-10-14(4)25-21(16)19;1-11-9-15-19(17-7-5-13(3)25-17)22-16(10-12(2)24-22)20(21(15)23-11)18-8-6-14(4)26-18;;;;/h2*5-20H,1-4H3;2*5-10H,1-4H3;4*1H4
InChIKeyKMFSWOCJWBQYTQ-UHFFFAOYSA-N
MW1748.43 g/mol
LogP29.75
Rot. Bonds12

About 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane

2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane (PubChem CID 159175605) has the molecular formula C105H108S6Se2Si and a molecular weight of 1748.43 g/mol. Its IUPAC name is 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane.

Molecular Properties

Compound Name2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane
PubChem CID159175605
Molecular FormulaC105H108S6Se2Si
Molecular Weight1748.43 g/mol
Exact Mass1748.49
IUPAC Name2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane
SMILESC.C.C.C.Cc1cc2c(-c3ccc(C)[se]3)c3sc(C)cc3c(-c3ccc(C)[se]3)c2s1.Cc1ccc(-c2c3cc(C)sc3c(-c3ccc(C)s3)c3cc(C)sc23)s1.Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C29H28.C28H28Si.C22H18S4.C22H18S2Se2.4CH4/c2*1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-11-5-7-17(23-11)19-15-9-13(3)26-22(15)20(18-8-6-12(2)24-18)16-10-14(4)25-21(16)19;1-11-9-15-19(17-7-5-13(3)25-17)22-16(10-12(2)24-22)20(21(15)23-11)18-8-6-14(4)26-18;;;;/h2*5-20H,1-4H3;2*5-10H,1-4H3;4*1H4
InChIKeyKMFSWOCJWBQYTQ-UHFFFAOYSA-N
XLogP29.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001748.43
LogP ≤ 529.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane with MolForge

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Related Compounds

2-methyl-5-[20-(5-methylthiophen-2-yl)-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl]thiophene
CID 58411173
trimethyl-[7-methyl-4,5-bis(5-methylthiophen-2-yl)thieno[3,2-e][1]benzothiol-2-yl]stannane
CID 157481440
2,6-dibromo-4-[5-(bromomethyl)thiophen-2-yl]-8-(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole
CID 122370041
8-(5-tert-butylthiophen-2-yl)-2-ethyl-4-(5-ethylthiophen-2-yl)-6-methylthieno[2,3-f][1]benzothiole
CID 145347015
2-tert-butyl-4-(5-ethylselenophen-2-yl)-6-methyl-8-selenophen-2-ylthieno[2,3-f][1]benzothiole
CID 145347013
5-[2-tert-butyl-8-(5-ethylselenophen-2-yl)-6-methylthieno[2,3-f][1]benzothiol-4-yl]-N-methylselenophen-2-amine;ethane
CID 145347022
4-(5-methylthiophen-2-yl)benzene-1,2-diol
CID 25130840
2-(5-methylthiophen-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455824
(3-tert-butylphenyl)-tris(4-methylphenyl)silane
CID 140946146
2-(5-methylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 118333894
6-(5-methylthiophen-2-yl)naphthalen-2-ol
CID 166336510
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
CID 144640372

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane?
The IUPAC name of 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane (CID 159175605) is 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane.
What is the SMILES notation for 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane?
The canonical SMILES for 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane is C.C.C.C.Cc1cc2c(-c3ccc(C)[se]3)c3sc(C)cc3c(-c3ccc(C)[se]3)c2s1.Cc1ccc(-c2c3cc(C)sc3c(-c3ccc(C)s3)c3cc(C)sc23)s1.Cc1ccc(C(c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane?
The InChIKey is KMFSWOCJWBQYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28.C28H28Si.C22H18S4.C22H18S2Se2.4CH4/c2*1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-11-5-7-17(23-11)19-15-9-13(3)26-22(15)20(18-8-6-12(2)24-18)16-10-14(4)25-21(16)19;1-11-9-15-19(17-7-5-13(3)25-17)22-16(10-12(2)24-22)20(21(15)23-11)18-8-6-14(4)26-18;;;;/h2*5-20H,1-4H3;2*5-10H,1-4H3;4*1H4.
What are the key properties of 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane?
2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane has a molecular weight of 1748.43 g/mol, XLogP of 29.75, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4,8-bis(5-methylselenophen-2-yl)thieno[2,3-f][1]benzothiole;2,6-dimethyl-4,8-bis(5-methylthiophen-2-yl)thieno[2,3-f][1]benzothiole;methane;1-methyl-4-[tris(4-methylphenyl)methyl]benzene;tetrakis(4-methylphenyl)silane is sourced from PubChem (CID 159175605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).