CID 157119570

C25H17N5Sn — CID 157119570

IUPAC—
SMILESC1=Cc2cc3ccc(cc4cc(-c5ccccn5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Sn]
InChIInChI=1S/C25H17N5.Sn/c1-2-10-26-24(3-1)23-14-22-13-20-7-6-18(28-20)11-16-4-5-17(27-16)12-19-8-9-21(29-19)15-25(23)30-22;/h1-15,28,30H;/b16-11-,17-12-,18-11-,19-12-,20-13-,21-15-,22-13-,25-15-;
InChIKeySTLPJTZRMDXXOY-FKXAVMLUSA-N
MW506.16 g/mol
LogP5.34
Rot. Bonds1

About CID 157119570

CID 157119570 (PubChem CID 157119570) has the molecular formula C25H17N5Sn and a molecular weight of 506.16 g/mol.

Molecular Properties

Compound NameCID 157119570
PubChem CID157119570
Molecular FormulaC25H17N5Sn
Molecular Weight506.16 g/mol
Exact Mass507.05
IUPAC Name—
SMILESC1=Cc2cc3ccc(cc4cc(-c5ccccn5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Sn]
InChIInChI=1S/C25H17N5.Sn/c1-2-10-26-24(3-1)23-14-22-13-20-7-6-18(28-20)11-16-4-5-17(27-16)12-19-8-9-21(29-19)15-25(23)30-22;/h1-15,28,30H;/b16-11-,17-12-,18-11-,19-12-,20-13-,21-15-,22-13-,25-15-;
InChIKeySTLPJTZRMDXXOY-FKXAVMLUSA-N
XLogP5.34
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.16
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 157119570?
The IUPAC name of CID 157119570 (CID 157119570) is not available.
What is the SMILES notation for CID 157119570?
The canonical SMILES for CID 157119570 is C1=Cc2cc3ccc(cc4cc(-c5ccccn5)c(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Sn].
What is the InChIKey of CID 157119570?
The InChIKey is STLPJTZRMDXXOY-FKXAVMLUSA-N. The full InChI is InChI=1S/C25H17N5.Sn/c1-2-10-26-24(3-1)23-14-22-13-20-7-6-18(28-20)11-16-4-5-17(27-16)12-19-8-9-21(29-19)15-25(23)30-22;/h1-15,28,30H;/b16-11-,17-12-,18-11-,19-12-,20-13-,21-15-,22-13-,25-15-;.
What are the key properties of CID 157119570?
CID 157119570 has a molecular weight of 506.16 g/mol, XLogP of 5.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157119570 is sourced from PubChem (CID 157119570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).