CID 175757831

C20H14Mg3N4 — CID 175757831

IUPAC—
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Mg].[Mg].[Mg]
InChIInChI=1S/C20H14N4.3Mg/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;/h1-12,21-22H;;;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;
InChIKeyZDEKNWHGWKRGGF-PWUAHTGRSA-N
MW383.28 g/mol
LogP3.51
Rot. Bonds

About CID 175757831

CID 175757831 (PubChem CID 175757831) has the molecular formula C20H14Mg3N4 and a molecular weight of 383.28 g/mol.

Molecular Properties

Compound NameCID 175757831
PubChem CID175757831
Molecular FormulaC20H14Mg3N4
Molecular Weight383.28 g/mol
Exact Mass382.08
IUPAC Name—
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Mg].[Mg].[Mg]
InChIInChI=1S/C20H14N4.3Mg/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;/h1-12,21-22H;;;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;
InChIKeyZDEKNWHGWKRGGF-PWUAHTGRSA-N
XLogP3.51
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 175757831?
The IUPAC name of CID 175757831 (CID 175757831) is not available.
What is the SMILES notation for CID 175757831?
The canonical SMILES for CID 175757831 is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Mg].[Mg].[Mg].
What is the InChIKey of CID 175757831?
The InChIKey is ZDEKNWHGWKRGGF-PWUAHTGRSA-N. The full InChI is InChI=1S/C20H14N4.3Mg/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;;;/h1-12,21-22H;;;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;;;.
What are the key properties of CID 175757831?
CID 175757831 has a molecular weight of 383.28 g/mol, XLogP of 3.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175757831 is sourced from PubChem (CID 175757831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).