4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole

C18H12Br4N2S2 — CID 14503993

IUPAC4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole
SMILESCSc1[nH]c2cc(Br)cc(Br)c2c1-c1c(SC)[nH]c2cc(Br)cc(Br)c12
InChIInChI=1S/C18H12Br4N2S2/c1-25-17-15(13-9(21)3-7(19)5-11(13)23-17)16-14-10(22)4-8(20)6-12(14)24-18(16)26-2/h3-6,23-24H,1-2H3
InChIKeyQNTLNHPFWSOPFW-UHFFFAOYSA-N
MW640.06 g/mol
LogP8.81
Rot. Bonds3

About 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole

4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole (PubChem CID 14503993) has the molecular formula C18H12Br4N2S2 and a molecular weight of 640.06 g/mol. Its IUPAC name is 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole.

Molecular Properties

Compound Name4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole
PubChem CID14503993
Molecular FormulaC18H12Br4N2S2
Molecular Weight640.06 g/mol
Exact Mass635.72
IUPAC Name4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole
SMILESCSc1[nH]c2cc(Br)cc(Br)c2c1-c1c(SC)[nH]c2cc(Br)cc(Br)c12
InChIInChI=1S/C18H12Br4N2S2/c1-25-17-15(13-9(21)3-7(19)5-11(13)23-17)16-14-10(22)4-8(20)6-12(14)24-18(16)26-2/h3-6,23-24H,1-2H3
InChIKeyQNTLNHPFWSOPFW-UHFFFAOYSA-N
XLogP8.81
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.06
LogP ≤ 58.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole?
The IUPAC name of 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole (CID 14503993) is 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole.
What is the SMILES notation for 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole?
The canonical SMILES for 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole is CSc1[nH]c2cc(Br)cc(Br)c2c1-c1c(SC)[nH]c2cc(Br)cc(Br)c12.
What is the InChIKey of 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole?
The InChIKey is QNTLNHPFWSOPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br4N2S2/c1-25-17-15(13-9(21)3-7(19)5-11(13)23-17)16-14-10(22)4-8(20)6-12(14)24-18(16)26-2/h3-6,23-24H,1-2H3.
What are the key properties of 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole?
4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole has a molecular weight of 640.06 g/mol, XLogP of 8.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-3-(4,6-dibromo-2-methylsulfanyl-1H-indol-3-yl)-2-methylsulfanyl-1H-indole is sourced from PubChem (CID 14503993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).