5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran

C44H42O8 — CID 102128857

IUPAC5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
SMILESCCCCCCc1cc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)oc1-c1oc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)cc1CCCCCC
InChIInChI=1S/C44H42O8/c1-3-5-7-9-13-29-27-41(39-23-21-37(49-39)35-19-17-33(47-35)31-15-11-25-45-31)51-43(29)44-30(14-10-8-6-4-2)28-42(52-44)40-24-22-38(50-40)36-20-18-34(48-36)32-16-12-26-46-32/h11-12,15-28H,3-10,13-14H2,1-2H3
InChIKeyOYXOBTOHBAUUCZ-UHFFFAOYSA-N
MW698.81 g/mol
LogP14.35
Rot. Bonds17

About 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran

5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran (PubChem CID 102128857) has the molecular formula C44H42O8 and a molecular weight of 698.81 g/mol. Its IUPAC name is 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran.

Molecular Properties

Compound Name5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
PubChem CID102128857
Molecular FormulaC44H42O8
Molecular Weight698.81 g/mol
Exact Mass698.29
IUPAC Name5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran
SMILESCCCCCCc1cc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)oc1-c1oc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)cc1CCCCCC
InChIInChI=1S/C44H42O8/c1-3-5-7-9-13-29-27-41(39-23-21-37(49-39)35-19-17-33(47-35)31-15-11-25-45-31)51-43(29)44-30(14-10-8-6-4-2)28-42(52-44)40-24-22-38(50-40)36-20-18-34(48-36)32-16-12-26-46-32/h11-12,15-28H,3-10,13-14H2,1-2H3
InChIKeyOYXOBTOHBAUUCZ-UHFFFAOYSA-N
XLogP14.35
TPSA105.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.81
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran with MolForge

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Related Compounds

2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran;2,5-bis[5-(furan-2-yl)furan-2-yl]-3-octylfuran
CID 158695408
2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-octylfuran
CID 90250758
3-hexyl-5-(4-methylphenyl)-2-phenylfuran
CID 102103698
3-dodecylfuran-2-carbaldehyde
CID 54442257
2-(furan-2-yl)-4-(3-hexylthiophen-2-yl)pyridine
CID 140687475
3-pentyl-2-(3-pentyl-5-propan-2-ylfuran-2-yl)-5-propan-2-ylfuran
CID 176857445
3-hexyl-5-(3-hexylfuran-2-yl)furan-2-carboxylic acid
CID 135215235
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479

Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran?
The IUPAC name of 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran (CID 102128857) is 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran.
What is the SMILES notation for 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran?
The canonical SMILES for 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran is CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)oc1-c1oc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)cc1CCCCCC.
What is the InChIKey of 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran?
The InChIKey is OYXOBTOHBAUUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42O8/c1-3-5-7-9-13-29-27-41(39-23-21-37(49-39)35-19-17-33(47-35)31-15-11-25-45-31)51-43(29)44-30(14-10-8-6-4-2)28-42(52-44)40-24-22-38(50-40)36-20-18-34(48-36)32-16-12-26-46-32/h11-12,15-28H,3-10,13-14H2,1-2H3.
What are the key properties of 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran?
5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran has a molecular weight of 698.81 g/mol, XLogP of 14.35, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-2-[5-[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-hexylfuran-2-yl]-3-hexylfuran is sourced from PubChem (CID 102128857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).