16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol

C23H18NO3+ — CID 15281316

IUPAC16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol
SMILESOc1ccc2[n+](c1)C1CC(c3ccoc3)(c3ccoc3)C2c2ccccc21
InChIInChI=1S/C23H17NO3/c25-17-5-6-20-22-19-4-2-1-3-18(19)21(24(20)12-17)11-23(22,15-7-9-26-13-15)16-8-10-27-14-16/h1-10,12-14,21-22H,11H2/p+1
InChIKeyZIZMWGCEYKQJEU-UHFFFAOYSA-O
MW356.40 g/mol
LogP4.29
Rot. Bonds2

About 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol

16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol (PubChem CID 15281316) has the molecular formula C23H18NO3+ and a molecular weight of 356.40 g/mol. Its IUPAC name is 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol.

Molecular Properties

Compound Name16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol
PubChem CID15281316
Molecular FormulaC23H18NO3+
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC Name16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol
SMILESOc1ccc2[n+](c1)C1CC(c3ccoc3)(c3ccoc3)C2c2ccccc21
InChIInChI=1S/C23H17NO3/c25-17-5-6-20-22-19-4-2-1-3-18(19)21(24(20)12-17)11-23(22,15-7-9-26-13-15)16-8-10-27-14-16/h1-10,12-14,21-22H,11H2/p+1
InChIKeyZIZMWGCEYKQJEU-UHFFFAOYSA-O
XLogP4.29
TPSA50.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol?
The IUPAC name of 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol (CID 15281316) is 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol.
What is the SMILES notation for 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol?
The canonical SMILES for 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol is Oc1ccc2[n+](c1)C1CC(c3ccoc3)(c3ccoc3)C2c2ccccc21.
What is the InChIKey of 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol?
The InChIKey is ZIZMWGCEYKQJEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H17NO3/c25-17-5-6-20-22-19-4-2-1-3-18(19)21(24(20)12-17)11-23(22,15-7-9-26-13-15)16-8-10-27-14-16/h1-10,12-14,21-22H,11H2/p+1.
What are the key properties of 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol?
16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol has a molecular weight of 356.40 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16,16-bis(furan-3-yl)-2-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13-hexaen-4-ol is sourced from PubChem (CID 15281316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).