2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene

C26H16BrIS2 — CID 139981999

IUPAC2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene
SMILESBrc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4I)s3)cc2)s1
InChIInChI=1S/C26H16BrIS2/c27-21-7-3-1-5-19(21)25-15-13-23(29-25)17-9-11-18(12-10-17)24-14-16-26(30-24)20-6-2-4-8-22(20)28/h1-16H
InChIKeyRHSNFBGFFUJTRL-UHFFFAOYSA-N
MW599.36 g/mol
LogP9.84
Rot. Bonds4

About 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene

2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene (PubChem CID 139981999) has the molecular formula C26H16BrIS2 and a molecular weight of 599.36 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene
PubChem CID139981999
Molecular FormulaC26H16BrIS2
Molecular Weight599.36 g/mol
Exact Mass597.89
IUPAC Name2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene
SMILESBrc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4I)s3)cc2)s1
InChIInChI=1S/C26H16BrIS2/c27-21-7-3-1-5-19(21)25-15-13-23(29-25)17-9-11-18(12-10-17)24-14-16-26(30-24)20-6-2-4-8-22(20)28/h1-16H
InChIKeyRHSNFBGFFUJTRL-UHFFFAOYSA-N
XLogP9.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.36
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[2-(2-iodophenyl)phenyl]benzene
CID 172548371
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
1-[5-(2-bromophenyl)thiophen-2-yl]ethanone
CID 28818946
2-bromo-5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 86000641
2-bromo-5-[5-[4-[4-(4-phenylphenyl)phenyl]phenyl]thiophen-2-yl]thiophene
CID 139982056
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
azane;1-bromo-2-iodobenzene
CID 139491171
1-iodo-2-(4-phenylphenyl)benzene
CID 12595491
methyl 5-(2-bromophenyl)thiophene-2-carboxylate
CID 117222348
1-bromo-2-iodobenzene;molecular nitrogen
CID 155706234
2-(4-bromophenyl)-5-(4-methylphenyl)thiophene
CID 174894366
1-[5-(2-iodophenyl)thiophen-2-yl]butan-1-amine
CID 43154404

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene?
The IUPAC name of 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene (CID 139981999) is 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene.
What is the SMILES notation for 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene?
The canonical SMILES for 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene is Brc1ccccc1-c1ccc(-c2ccc(-c3ccc(-c4ccccc4I)s3)cc2)s1.
What is the InChIKey of 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene?
The InChIKey is RHSNFBGFFUJTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16BrIS2/c27-21-7-3-1-5-19(21)25-15-13-23(29-25)17-9-11-18(12-10-17)24-14-16-26(30-24)20-6-2-4-8-22(20)28/h1-16H.
What are the key properties of 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene?
2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene has a molecular weight of 599.36 g/mol, XLogP of 9.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-[4-[5-(2-iodophenyl)thiophen-2-yl]phenyl]thiophene is sourced from PubChem (CID 139981999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).