CID 11399703

C25H34BiCl2N2O2 — CID 11399703

IUPAC—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(OC)cc2C)c(C)c1
InChIInChI=1S/C9H16N2.2C8H9O.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;2*1-7-4-3-5-8(6-7)9-2;;;/h1-8H2;2*3,5-6H,1-2H3;;2*1H/q;;;+2;;/p-2
InChIKeyKMRVGKIBQPXJPS-UHFFFAOYSA-L
MW674.45 g/mol
LogP5.02
Rot. Bonds4

About CID 11399703

CID 11399703 (PubChem CID 11399703) has the molecular formula C25H34BiCl2N2O2 and a molecular weight of 674.45 g/mol.

Molecular Properties

Compound NameCID 11399703
PubChem CID11399703
Molecular FormulaC25H34BiCl2N2O2
Molecular Weight674.45 g/mol
Exact Mass673.18
IUPAC Name—
SMILESC1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(OC)cc2C)c(C)c1
InChIInChI=1S/C9H16N2.2C8H9O.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;2*1-7-4-3-5-8(6-7)9-2;;;/h1-8H2;2*3,5-6H,1-2H3;;2*1H/q;;;+2;;/p-2
InChIKeyKMRVGKIBQPXJPS-UHFFFAOYSA-L
XLogP5.02
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11399703?
The IUPAC name of CID 11399703 (CID 11399703) is not available.
What is the SMILES notation for CID 11399703?
The canonical SMILES for CID 11399703 is C1CCC2=NCCCN2CC1.COc1ccc([Bi](Cl)(Cl)c2ccc(OC)cc2C)c(C)c1.
What is the InChIKey of CID 11399703?
The InChIKey is KMRVGKIBQPXJPS-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H16N2.2C8H9O.Bi.2ClH/c1-2-5-9-10-6-4-8-11(9)7-3-1;2*1-7-4-3-5-8(6-7)9-2;;;/h1-8H2;2*3,5-6H,1-2H3;;2*1H/q;;;+2;;/p-2.
What are the key properties of CID 11399703?
CID 11399703 has a molecular weight of 674.45 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11399703 is sourced from PubChem (CID 11399703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).