2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene

C20H12Br2OS — CID 10928633

IUPAC2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene
SMILESBrc1ccc(-c2ccc(Oc3ccc4cc(Br)ccc4c3)s2)cc1
InChIInChI=1S/C20H12Br2OS/c21-16-5-1-13(2-6-16)19-9-10-20(24-19)23-18-8-4-14-11-17(22)7-3-15(14)12-18/h1-12H
InChIKeyRIOUTMGIAXSILF-UHFFFAOYSA-N
MW460.19 g/mol
LogP7.89
Rot. Bonds3

About 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene

2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene (PubChem CID 10928633) has the molecular formula C20H12Br2OS and a molecular weight of 460.19 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene
PubChem CID10928633
Molecular FormulaC20H12Br2OS
Molecular Weight460.19 g/mol
Exact Mass457.90
IUPAC Name2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene
SMILESBrc1ccc(-c2ccc(Oc3ccc4cc(Br)ccc4c3)s2)cc1
InChIInChI=1S/C20H12Br2OS/c21-16-5-1-13(2-6-16)19-9-10-20(24-19)23-18-8-4-14-11-17(22)7-3-15(14)12-18/h1-12H
InChIKeyRIOUTMGIAXSILF-UHFFFAOYSA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.19
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene 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 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene (CID 10928633) is 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene is Brc1ccc(-c2ccc(Oc3ccc4cc(Br)ccc4c3)s2)cc1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene?
The InChIKey is RIOUTMGIAXSILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2OS/c21-16-5-1-13(2-6-16)19-9-10-20(24-19)23-18-8-4-14-11-17(22)7-3-15(14)12-18/h1-12H.
What are the key properties of 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene?
2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene has a molecular weight of 460.19 g/mol, XLogP of 7.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)oxy-5-(4-bromophenyl)thiophene is sourced from PubChem (CID 10928633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).