3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

About 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 11513597) has the molecular formula C59H72S8 and a molecular weight of 1037.76 g/mol. Its IUPAC name is 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name	3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID	11513597
Molecular Formula	C59H72S8
Molecular Weight	1037.76 g/mol
Exact Mass	1036.34
IUPAC Name	3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILES	CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sccc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1
InChI	InChI=1S/C59H72S8/c1-5-9-13-17-22-42-36-38-60-56(42)52-32-28-48(64-52)50-30-34-54(66-50)58-44(24-19-15-11-7-3)40-46(62-58)26-21-27-47-41-45(25-20-16-12-8-4)59(63-47)55-35-31-51(67-55)49-29-33-53(65-49)57-43(37-39-61-57)23-18-14-10-6-2/h28-41H,5-27H2,1-4H3
InChIKey	OBTDDJPRDHWZRQ-UHFFFAOYSA-N
XLogP	22.85
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors	8
Rotatable Bonds	30
Heavy Atoms	67
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1037.76
LogP ≤ 5	22.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?

The IUPAC name of 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 11513597) is 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.

What is the SMILES notation for 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?

The canonical SMILES for 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is CCCCCCc1ccsc1-c1ccc(-c2ccc(-c3sc(CCCc4cc(CCCCCC)c(-c5ccc(-c6ccc(-c7sccc7CCCCCC)s6)s5)s4)cc3CCCCCC)s2)s1.

What is the InChIKey of 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?

The InChIKey is OBTDDJPRDHWZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H72S8/c1-5-9-13-17-22-42-36-38-60-56(42)52-32-28-48(64-52)50-30-34-54(66-50)58-44(24-19-15-11-7-3)40-46(62-58)26-21-27-47-41-45(25-20-16-12-8-4)59(63-47)55-35-31-51(67-55)49-29-33-53(65-49)57-43(37-39-61-57)23-18-14-10-6-2/h28-41H,5-27H2,1-4H3.

What are the key properties of 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?

3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 1037.76 g/mol, XLogP of 22.85, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]propyl]-2-[5-[5-(3-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 11513597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).