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

C40H26S4 — CID 11157957

IUPAC2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)s6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C40H26S4/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-21-35(41-33)37-23-25-39(43-37)40-26-24-38(44-40)36-22-20-34(42-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H
InChIKeyYGIODJRHRNFRHH-UHFFFAOYSA-N
MW634.92 g/mol
LogP13.60
Rot. Bonds7

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

2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 11157957) has the molecular formula C40H26S4 and a molecular weight of 634.92 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID11157957
Molecular FormulaC40H26S4
Molecular Weight634.92 g/mol
Exact Mass634.09
IUPAC Name2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)s6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C40H26S4/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-21-35(41-33)37-23-25-39(43-37)40-26-24-38(44-40)36-22-20-34(42-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H
InChIKeyYGIODJRHRNFRHH-UHFFFAOYSA-N
XLogP13.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.92
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene (CID 11157957) is 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccccc8)cc7)s6)s5)s4)s3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is YGIODJRHRNFRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26S4/c1-3-7-27(8-4-1)29-11-15-31(16-12-29)33-19-21-35(41-33)37-23-25-39(43-37)40-26-24-38(44-40)36-22-20-34(42-36)32-17-13-30(14-18-32)28-9-5-2-6-10-28/h1-26H.
What are the key properties of 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene?
2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 634.92 g/mol, XLogP of 13.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-5-[5-[5-[5-(4-phenylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 11157957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).