CID 11285220

C22H27BiCl3N2O — CID 11285220

IUPAC—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C9H16N2.C7H7O.C6H4Cl.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;;/h1-8H2;3-6H,1H3;2-5H;;2*1H/q;;;+2;;/p-2
InChIKeyJDHJTYDHMUBIEX-UHFFFAOYSA-L
MW650.81 g/mol
LogP5.05
Rot. Bonds3

About CID 11285220

CID 11285220 (PubChem CID 11285220) has the molecular formula C22H27BiCl3N2O and a molecular weight of 650.81 g/mol.

Molecular Properties

Compound NameCID 11285220
PubChem CID11285220
Molecular FormulaC22H27BiCl3N2O
Molecular Weight650.81 g/mol
Exact Mass649.10
IUPAC Name—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C9H16N2.C7H7O.C6H4Cl.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;;/h1-8H2;3-6H,1H3;2-5H;;2*1H/q;;;+2;;/p-2
InChIKeyJDHJTYDHMUBIEX-UHFFFAOYSA-L
XLogP5.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.81
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 11285220?
The IUPAC name of CID 11285220 (CID 11285220) is not available.
What is the SMILES notation for CID 11285220?
The canonical SMILES for CID 11285220 is C1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(Cl)cc2)cc1.
What is the InChIKey of CID 11285220?
The InChIKey is JDHJTYDHMUBIEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2.C7H7O.C6H4Cl.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6;;;/h1-8H2;3-6H,1H3;2-5H;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 11285220?
CID 11285220 has a molecular weight of 650.81 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11285220 is sourced from PubChem (CID 11285220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).