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

C30H26S2 — CID 139942065

IUPAC2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CC)cc5)s4)cc3)s2)cc1
InChIInChI=1S/C30H26S2/c1-3-21-5-9-23(10-6-21)27-17-19-29(31-27)25-13-15-26(16-14-25)30-20-18-28(32-30)24-11-7-22(4-2)8-12-24/h5-20H,3-4H2,1-2H3
InChIKeyZWYAIOZUYFVBID-UHFFFAOYSA-N
MW450.67 g/mol
LogP9.60
Rot. Bonds6

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

2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene (PubChem CID 139942065) has the molecular formula C30H26S2 and a molecular weight of 450.67 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene.

Molecular Properties

Compound Name2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
PubChem CID139942065
Molecular FormulaC30H26S2
Molecular Weight450.67 g/mol
Exact Mass450.15
IUPAC Name2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CC)cc5)s4)cc3)s2)cc1
InChIInChI=1S/C30H26S2/c1-3-21-5-9-23(10-6-21)27-17-19-29(31-27)25-13-15-26(16-14-25)30-20-18-28(32-30)24-11-7-22(4-2)8-12-24/h5-20H,3-4H2,1-2H3
InChIKeyZWYAIOZUYFVBID-UHFFFAOYSA-N
XLogP9.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.67
LogP ≤ 59.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene?
The IUPAC name of 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene (CID 139942065) is 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene.
What is the SMILES notation for 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene?
The canonical SMILES for 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene is CCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(CC)cc5)s4)cc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene?
The InChIKey is ZWYAIOZUYFVBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26S2/c1-3-21-5-9-23(10-6-21)27-17-19-29(31-27)25-13-15-26(16-14-25)30-20-18-28(32-30)24-11-7-22(4-2)8-12-24/h5-20H,3-4H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene?
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene has a molecular weight of 450.67 g/mol, XLogP of 9.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene is sourced from PubChem (CID 139942065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).