2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene

C16H11Br3S — CID 107965761

IUPAC2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
SMILESBrc1cc(C(Br)Cc2ccc3ccccc3c2)c(Br)s1
InChIInChI=1S/C16H11Br3S/c17-14(13-9-15(18)20-16(13)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,14H,8H2
InChIKeyNWXNPDMFVUGJAQ-UHFFFAOYSA-N
MW475.04 g/mol
LogP7.11
Rot. Bonds3

About 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene

2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene (PubChem CID 107965761) has the molecular formula C16H11Br3S and a molecular weight of 475.04 g/mol. Its IUPAC name is 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
PubChem CID107965761
Molecular FormulaC16H11Br3S
Molecular Weight475.04 g/mol
Exact Mass471.81
IUPAC Name2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
SMILESBrc1cc(C(Br)Cc2ccc3ccccc3c2)c(Br)s1
InChIInChI=1S/C16H11Br3S/c17-14(13-9-15(18)20-16(13)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,14H,8H2
InChIKeyNWXNPDMFVUGJAQ-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.04
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)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 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
The IUPAC name of 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene (CID 107965761) is 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene.
What is the SMILES notation for 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
The canonical SMILES for 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene is Brc1cc(C(Br)Cc2ccc3ccccc3c2)c(Br)s1.
What is the InChIKey of 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
The InChIKey is NWXNPDMFVUGJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Br3S/c17-14(13-9-15(18)20-16(13)19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,9,14H,8H2.
What are the key properties of 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene?
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene has a molecular weight of 475.04 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene is sourced from PubChem (CID 107965761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).