2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene

C36H24S3 — CID 10792816

IUPAC2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C36H24S3/c1-3-7-25(8-4-1)27-11-15-29(16-12-27)31-19-21-33(37-31)35-23-24-36(39-35)34-22-20-32(38-34)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-24H
InChIKeyADQTZWZDPZWFPP-UHFFFAOYSA-N
MW552.79 g/mol
LogP11.87
Rot. Bonds6

About 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene

2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene (PubChem CID 10792816) has the molecular formula C36H24S3 and a molecular weight of 552.79 g/mol. Its IUPAC name is 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene
PubChem CID10792816
Molecular FormulaC36H24S3
Molecular Weight552.79 g/mol
Exact Mass552.10
IUPAC Name2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C36H24S3/c1-3-7-25(8-4-1)27-11-15-29(16-12-27)31-19-21-33(37-31)35-23-24-36(39-35)34-22-20-32(38-34)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-24H
InChIKeyADQTZWZDPZWFPP-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.79
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene (CID 10792816) is 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccccc7)cc6)s5)s4)s3)cc2)cc1.
What is the InChIKey of 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene?
The InChIKey is ADQTZWZDPZWFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S3/c1-3-7-25(8-4-1)27-11-15-29(16-12-27)31-19-21-33(37-31)35-23-24-36(39-35)34-22-20-32(38-34)30-17-13-28(14-18-30)26-9-5-2-6-10-26/h1-24H.
What are the key properties of 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene?
2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene has a molecular weight of 552.79 g/mol, XLogP of 11.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(4-phenylphenyl)thiophen-2-yl]thiophene is sourced from PubChem (CID 10792816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).