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

C62H56O12 — CID 158695408

IUPAC2,5-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
SMILESCCCCCCCCc1cc(-c2ccc(-c3ccco3)o2)oc1-c1ccc(-c2ccco2)o1.CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)oc1-c1ccc(-c2ccc(-c3ccco3)o2)o1
InChIInChI=1S/C34H28O7.C28H28O5/c1-2-3-4-5-8-22-21-33(31-16-15-28(39-31)27-13-11-25(37-27)23-9-6-19-35-23)41-34(22)32-18-17-30(40-32)29-14-12-26(38-29)24-10-7-20-36-24;1-2-3-4-5-6-7-10-20-19-27(25-14-13-23(31-25)21-11-8-17-29-21)33-28(20)26-16-15-24(32-26)22-12-9-18-30-22/h6-7,9-21H,2-5,8H2,1H3;8-9,11-19H,2-7,10H2,1H3
InChIKeyIGWKVOQQDIYVTM-UHFFFAOYSA-N
MW993.12 g/mol
LogP20.18
Rot. Bonds22

About 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

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 (PubChem CID 158695408) has the molecular formula C62H56O12 and a molecular weight of 993.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID158695408
Molecular FormulaC62H56O12
Molecular Weight993.12 g/mol
Exact Mass992.38
IUPAC Name2,5-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
SMILESCCCCCCCCc1cc(-c2ccc(-c3ccco3)o2)oc1-c1ccc(-c2ccco2)o1.CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)oc1-c1ccc(-c2ccc(-c3ccco3)o2)o1
InChIInChI=1S/C34H28O7.C28H28O5/c1-2-3-4-5-8-22-21-33(31-16-15-28(39-31)27-13-11-25(37-27)23-9-6-19-35-23)41-34(22)32-18-17-30(40-32)29-14-12-26(38-29)24-10-7-20-36-24;1-2-3-4-5-6-7-10-20-19-27(25-14-13-23(31-25)21-11-8-17-29-21)33-28(20)26-16-15-24(32-26)22-12-9-18-30-22/h6-7,9-21H,2-5,8H2,1H3;8-9,11-19H,2-7,10H2,1H3
InChIKeyIGWKVOQQDIYVTM-UHFFFAOYSA-N
XLogP20.18
TPSA157.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.12
LogP ≤ 520.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,5-bis[5-[5-(furan-2-yl)furan-2-yl]furan-2-yl]-3-octylfuran
CID 90250758
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
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-heptylfuran-2-yl)phosphane
CID 21095511
3-hexyl-5-(3-hexylfuran-2-yl)furan-2-carboxylic acid
CID 135215235
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCc1cc(-c2ccc(-c3ccco3)o2)oc1-c1ccc(-c2ccco2)o1.CCCCCCc1cc(-c2ccc(-c3ccc(-c4ccco4)o3)o2)oc1-c1ccc(-c2ccc(-c3ccco3)o2)o1.
What is the InChIKey of 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?
The InChIKey is IGWKVOQQDIYVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O7.C28H28O5/c1-2-3-4-5-8-22-21-33(31-16-15-28(39-31)27-13-11-25(37-27)23-9-6-19-35-23)41-34(22)32-18-17-30(40-32)29-14-12-26(38-29)24-10-7-20-36-24;1-2-3-4-5-6-7-10-20-19-27(25-14-13-23(31-25)21-11-8-17-29-21)33-28(20)26-16-15-24(32-26)22-12-9-18-30-22/h6-7,9-21H,2-5,8H2,1H3;8-9,11-19H,2-7,10H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 993.12 g/mol, XLogP of 20.18, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158695408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).