CID 88628527

C20H16N4O2Si — CID 88628527

IUPAC—
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O[Si]O
InChIInChI=1S/C20H14N4.H2O2Si/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;1-3-2/h1-12,21-22H;1-2H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyAXZRLLXNSBCMNS-QDJBTJTOSA-N
MW372.46 g/mol
LogP3.16
Rot. Bonds

About CID 88628527

CID 88628527 (PubChem CID 88628527) has the molecular formula C20H16N4O2Si and a molecular weight of 372.46 g/mol.

Molecular Properties

Compound NameCID 88628527
PubChem CID88628527
Molecular FormulaC20H16N4O2Si
Molecular Weight372.46 g/mol
Exact Mass372.10
IUPAC Name—
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O[Si]O
InChIInChI=1S/C20H14N4.H2O2Si/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;1-3-2/h1-12,21-22H;1-2H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyAXZRLLXNSBCMNS-QDJBTJTOSA-N
XLogP3.16
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 88628527?
The IUPAC name of CID 88628527 (CID 88628527) is not available.
What is the SMILES notation for CID 88628527?
The canonical SMILES for CID 88628527 is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.O[Si]O.
What is the InChIKey of CID 88628527?
The InChIKey is AXZRLLXNSBCMNS-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.H2O2Si/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;1-3-2/h1-12,21-22H;1-2H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of CID 88628527?
CID 88628527 has a molecular weight of 372.46 g/mol, XLogP of 3.16, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88628527 is sourced from PubChem (CID 88628527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).