10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole

C30H20N2S2 — CID 118530651

IUPAC10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESCn1c2cc(-c3ccc4c5sc6ccccc6c5n(C)c4c3)ccc2c2sc3ccccc3c21
InChIInChI=1S/C30H20N2S2/c1-31-23-15-17(11-13-19(23)29-27(31)21-7-3-5-9-25(21)33-29)18-12-14-20-24(16-18)32(2)28-22-8-4-6-10-26(22)34-30(20)28/h3-16H,1-2H3
InChIKeyGJRKZQOTLXGPEF-UHFFFAOYSA-N
MW472.64 g/mol
LogP9.07
Rot. Bonds1

About 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole

10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole (PubChem CID 118530651) has the molecular formula C30H20N2S2 and a molecular weight of 472.64 g/mol. Its IUPAC name is 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole.

Molecular Properties

Compound Name10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole
PubChem CID118530651
Molecular FormulaC30H20N2S2
Molecular Weight472.64 g/mol
Exact Mass472.11
IUPAC Name10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole
SMILESCn1c2cc(-c3ccc4c5sc6ccccc6c5n(C)c4c3)ccc2c2sc3ccccc3c21
InChIInChI=1S/C30H20N2S2/c1-31-23-15-17(11-13-19(23)29-27(31)21-7-3-5-9-25(21)33-29)18-12-14-20-24(16-18)32(2)28-22-8-4-6-10-26(22)34-30(20)28/h3-16H,1-2H3
InChIKeyGJRKZQOTLXGPEF-UHFFFAOYSA-N
XLogP9.07
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.64
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole with MolForge

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Related Compounds

15-methyl-12,18-dithia-15-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 134472332
3-tert-butyl-12-methyl-[1]benzothiolo[2,3-a]carbazole
CID 169027748
7-methyl-9-phenyl-[1]benzothiolo[2,3-b]carbazole
CID 169027876
5,21-dimethyl-16,32-dioxa-13,29-dithia-5,21-diazanonacyclo[17.13.0.03,17.04,15.06,14.07,12.020,31.022,30.023,28]dotriaconta-1(19),2,4(15),6(14),7,9,11,17,20(31),22(30),23,25,27-tridecaene
CID 163555895
5-methyl-2-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 167224268
7-(4-dibenzothiophen-2-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828540
[4-[2-[4-([1]benzothiolo[3,2-b]indol-10-yl)phenyl]carbazol-9-yl]phenyl]-triphenylsilane
CID 123963134
2-dibenzothiophen-3-yl-5-methylbenzo[b]carbazole
CID 126631809
10-[4-[9-(4-fluorophenyl)carbazol-3-yl]phenyl]-[1]benzothiolo[3,2-b]indole
CID 118150020
N-hexyl-7-[10-(hexylamino)-[1]benzothiolo[3,2-b]indol-7-yl]-[1]benzothiolo[3,2-b]indol-10-amine
CID 144681018
7-(4-dibenzothiophen-4-ylphenyl)-10-phenyl-[1]benzothiolo[3,2-b]indole
CID 164828396
1-methyl-4-oxo-[1]benzothiolo[3,2-b]pyridine-2-carboxylic acid
CID 10825168

Frequently Asked Questions

What is the IUPAC name of 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole?
The IUPAC name of 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole (CID 118530651) is 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole.
What is the SMILES notation for 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole?
The canonical SMILES for 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole is Cn1c2cc(-c3ccc4c5sc6ccccc6c5n(C)c4c3)ccc2c2sc3ccccc3c21.
What is the InChIKey of 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole?
The InChIKey is GJRKZQOTLXGPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2S2/c1-31-23-15-17(11-13-19(23)29-27(31)21-7-3-5-9-25(21)33-29)18-12-14-20-24(16-18)32(2)28-22-8-4-6-10-26(22)34-30(20)28/h3-16H,1-2H3.
What are the key properties of 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole?
10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole has a molecular weight of 472.64 g/mol, XLogP of 9.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2-(10-methyl-[1]benzothiolo[3,2-b]indol-2-yl)-[1]benzothiolo[3,2-b]indole is sourced from PubChem (CID 118530651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).