2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene

C32H32O4S3 — CID 71105098

IUPAC2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene
SMILESCOc1cccc(OC(C)C)c1-c1ccc(-c2ccc(-c3ccc(-c4c(OC)cccc4OC(C)C)s3)s2)s1
InChIInChI=1S/C32H32O4S3/c1-19(2)35-23-11-7-9-21(33-5)31(23)29-17-15-27(38-29)25-13-14-26(37-25)28-16-18-30(39-28)32-22(34-6)10-8-12-24(32)36-20(3)4/h7-20H,1-6H3
InChIKeySUFUHQPOWJZSPU-UHFFFAOYSA-N
MW576.81 g/mol
LogP10.13
Rot. Bonds10

About 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene

2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene (PubChem CID 71105098) has the molecular formula C32H32O4S3 and a molecular weight of 576.81 g/mol. Its IUPAC name is 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene
PubChem CID71105098
Molecular FormulaC32H32O4S3
Molecular Weight576.81 g/mol
Exact Mass576.15
IUPAC Name2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene
SMILESCOc1cccc(OC(C)C)c1-c1ccc(-c2ccc(-c3ccc(-c4c(OC)cccc4OC(C)C)s3)s2)s1
InChIInChI=1S/C32H32O4S3/c1-19(2)35-23-11-7-9-21(33-5)31(23)29-17-15-27(38-29)25-13-14-26(37-25)28-16-18-30(39-28)32-22(34-6)10-8-12-24(32)36-20(3)4/h7-20H,1-6H3
InChIKeySUFUHQPOWJZSPU-UHFFFAOYSA-N
XLogP10.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.81
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene (CID 71105098) is 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene is COc1cccc(OC(C)C)c1-c1ccc(-c2ccc(-c3ccc(-c4c(OC)cccc4OC(C)C)s3)s2)s1.
What is the InChIKey of 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene?
The InChIKey is SUFUHQPOWJZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O4S3/c1-19(2)35-23-11-7-9-21(33-5)31(23)29-17-15-27(38-29)25-13-14-26(37-25)28-16-18-30(39-28)32-22(34-6)10-8-12-24(32)36-20(3)4/h7-20H,1-6H3.
What are the key properties of 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene?
2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene has a molecular weight of 576.81 g/mol, XLogP of 10.13, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]thiophene is sourced from PubChem (CID 71105098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).