2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene

C26H24Br2S2 — CID 174666233

IUPAC2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene
SMILESCC(C)C(Cc1ccc(-c2ccc(Br)s2)cc1)Cc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C26H24Br2S2/c1-17(2)22(15-18-3-7-20(8-4-18)23-11-13-25(27)29-23)16-19-5-9-21(10-6-19)24-12-14-26(28)30-24/h3-14,17,22H,15-16H2,1-2H3
InChIKeyRHNCXFXEFIFOSX-UHFFFAOYSA-N
MW560.42 g/mol
LogP9.73
Rot. Bonds7

About 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene

2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene (PubChem CID 174666233) has the molecular formula C26H24Br2S2 and a molecular weight of 560.42 g/mol. Its IUPAC name is 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene
PubChem CID174666233
Molecular FormulaC26H24Br2S2
Molecular Weight560.42 g/mol
Exact Mass557.97
IUPAC Name2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene
SMILESCC(C)C(Cc1ccc(-c2ccc(Br)s2)cc1)Cc1ccc(-c2ccc(Br)s2)cc1
InChIInChI=1S/C26H24Br2S2/c1-17(2)22(15-18-3-7-20(8-4-18)23-11-13-25(27)29-23)16-19-5-9-21(10-6-19)24-12-14-26(28)30-24/h3-14,17,22H,15-16H2,1-2H3
InChIKeyRHNCXFXEFIFOSX-UHFFFAOYSA-N
XLogP9.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.42
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene?
The IUPAC name of 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene (CID 174666233) is 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene.
What is the SMILES notation for 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene?
The canonical SMILES for 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene is CC(C)C(Cc1ccc(-c2ccc(Br)s2)cc1)Cc1ccc(-c2ccc(Br)s2)cc1.
What is the InChIKey of 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene?
The InChIKey is RHNCXFXEFIFOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Br2S2/c1-17(2)22(15-18-3-7-20(8-4-18)23-11-13-25(27)29-23)16-19-5-9-21(10-6-19)24-12-14-26(28)30-24/h3-14,17,22H,15-16H2,1-2H3.
What are the key properties of 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene?
2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene has a molecular weight of 560.42 g/mol, XLogP of 9.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[4-[2-[[4-(5-bromothiophen-2-yl)phenyl]methyl]-3-methylbutyl]phenyl]thiophene is sourced from PubChem (CID 174666233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).