2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)

C44H32N4Y2 — CID 158475409

IUPAC2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)
SMILESCc1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21.[H]/[C-]=C/C1=[C-]c2cccc[n+]2C12C(/C=[C-]/C)=[C-]c1cccc[n+]12.[Y].[Y]
InChIInChI=1S/C24H18N2.C20H14N2.2Y/c1-17-12-13-21-19(16-17)23-11-5-7-15-26(23)24(21)20-9-3-2-8-18(20)22-10-4-6-14-25(22)24;1-3-9-17-15-19-11-6-8-13-22(19)20(17)16(4-2)14-18-10-5-7-12-21(18)20;;/h2-16H,1H3;2,4-13H,1H3;;/q+2;-2;;
InChIKeyHCRWKDBKAZJCOK-UHFFFAOYSA-N
MW794.58 g/mol
LogP5.84
Rot. Bonds2

About 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)

2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium) (PubChem CID 158475409) has the molecular formula C44H32N4Y2 and a molecular weight of 794.58 g/mol. Its IUPAC name is 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium).

Molecular Properties

Compound Name2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)
PubChem CID158475409
Molecular FormulaC44H32N4Y2
Molecular Weight794.58 g/mol
Exact Mass794.07
IUPAC Name2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)
SMILESCc1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21.[H]/[C-]=C/C1=[C-]c2cccc[n+]2C12C(/C=[C-]/C)=[C-]c1cccc[n+]12.[Y].[Y]
InChIInChI=1S/C24H18N2.C20H14N2.2Y/c1-17-12-13-21-19(16-17)23-11-5-7-15-26(23)24(21)20-9-3-2-8-18(20)22-10-4-6-14-25(22)24;1-3-9-17-15-19-11-6-8-13-22(19)20(17)16(4-2)14-18-10-5-7-12-21(18)20;;/h2-16H,1H3;2,4-13H,1H3;;/q+2;-2;;
InChIKeyHCRWKDBKAZJCOK-UHFFFAOYSA-N
XLogP5.84
TPSA15.52 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.58
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)?
The IUPAC name of 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium) (CID 158475409) is 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium).
What is the SMILES notation for 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)?
The canonical SMILES for 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium) is Cc1ccc2c(c1)-c1cccc[n+]1C21c2ccccc2-c2cccc[n+]21.[H]/[C-]=C/C1=[C-]c2cccc[n+]2C12C(/C=[C-]/C)=[C-]c1cccc[n+]12.[Y].[Y].
What is the InChIKey of 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)?
The InChIKey is HCRWKDBKAZJCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2.C20H14N2.2Y/c1-17-12-13-21-19(16-17)23-11-5-7-15-26(23)24(21)20-9-3-2-8-18(20)22-10-4-6-14-25(22)24;1-3-9-17-15-19-11-6-8-13-22(19)20(17)16(4-2)14-18-10-5-7-12-21(18)20;;/h2-16H,1H3;2,4-13H,1H3;;/q+2;-2;;.
What are the key properties of 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium)?
2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium) has a molecular weight of 794.58 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2'-prop-1-enyl-3,3'-spirobi[1H-indolizin-4-ium-1-ide];9-methyl-6,6'-spirobi[pyrido[2,1-a]isoindol-5-ium];bis(yttrium) is sourced from PubChem (CID 158475409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).