2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene

C34H30O4S — CID 14983201

IUPAC2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene
SMILESCOc1ccc(C(c2ccc(OC)cc2)=c2ccc(=C(c3ccc(OC)cc3)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C34H30O4S/c1-35-27-13-5-23(6-14-27)33(24-7-15-28(36-2)16-8-24)31-21-22-32(39-31)34(25-9-17-29(37-3)18-10-25)26-11-19-30(38-4)20-12-26/h5-22H,1-4H3
InChIKeyXXSSVPTUHIMWNT-UHFFFAOYSA-N
MW534.68 g/mol
LogP6.28
Rot. Bonds8

About 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene

2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene (PubChem CID 14983201) has the molecular formula C34H30O4S and a molecular weight of 534.68 g/mol. Its IUPAC name is 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene.

Molecular Properties

Compound Name2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene
PubChem CID14983201
Molecular FormulaC34H30O4S
Molecular Weight534.68 g/mol
Exact Mass534.19
IUPAC Name2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene
SMILESCOc1ccc(C(c2ccc(OC)cc2)=c2ccc(=C(c3ccc(OC)cc3)c3ccc(OC)cc3)s2)cc1
InChIInChI=1S/C34H30O4S/c1-35-27-13-5-23(6-14-27)33(24-7-15-28(36-2)16-8-24)31-21-22-32(39-31)34(25-9-17-29(37-3)18-10-25)26-11-19-30(38-4)20-12-26/h5-22H,1-4H3
InChIKeyXXSSVPTUHIMWNT-UHFFFAOYSA-N
XLogP6.28
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.68
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene?
The IUPAC name of 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene (CID 14983201) is 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene.
What is the SMILES notation for 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene?
The canonical SMILES for 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene is COc1ccc(C(c2ccc(OC)cc2)=c2ccc(=C(c3ccc(OC)cc3)c3ccc(OC)cc3)s2)cc1.
What is the InChIKey of 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene?
The InChIKey is XXSSVPTUHIMWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30O4S/c1-35-27-13-5-23(6-14-27)33(24-7-15-28(36-2)16-8-24)31-21-22-32(39-31)34(25-9-17-29(37-3)18-10-25)26-11-19-30(38-4)20-12-26/h5-22H,1-4H3.
What are the key properties of 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene?
2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene has a molecular weight of 534.68 g/mol, XLogP of 6.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[bis(4-methoxyphenyl)methylidene]thiophene is sourced from PubChem (CID 14983201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).