CID 175689737

C23H15N3OSn — CID 175689737

IUPAC—
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.[Sn]
InChIInChI=1S/C23H15N3O.Sn/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;/h1-14,16H;
InChIKeyAGIMSBNDCDDERJ-UHFFFAOYSA-N
MW468.10 g/mol
LogP4.06
Rot. Bonds3

About CID 175689737

CID 175689737 (PubChem CID 175689737) has the molecular formula C23H15N3OSn and a molecular weight of 468.10 g/mol.

Molecular Properties

Compound NameCID 175689737
PubChem CID175689737
Molecular FormulaC23H15N3OSn
Molecular Weight468.10 g/mol
Exact Mass469.02
IUPAC Name—
SMILESN#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.[Sn]
InChIInChI=1S/C23H15N3O.Sn/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;/h1-14,16H;
InChIKeyAGIMSBNDCDDERJ-UHFFFAOYSA-N
XLogP4.06
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.10
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 175689737?
The IUPAC name of CID 175689737 (CID 175689737) is not available.
What is the SMILES notation for CID 175689737?
The canonical SMILES for CID 175689737 is N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O.[Sn].
What is the InChIKey of CID 175689737?
The InChIKey is AGIMSBNDCDDERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O.Sn/c24-15-17-8-4-5-11-20(17)21-14-18(22-12-6-7-13-25-22)16-26(23(21)27)19-9-2-1-3-10-19;/h1-14,16H;.
What are the key properties of CID 175689737?
CID 175689737 has a molecular weight of 468.10 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175689737 is sourced from PubChem (CID 175689737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).