CID 88892730

C20H12B2N2 — CID 88892730

IUPAC—
SMILES[B]c1ccc(-c2nc3ccccc3nc2-c2ccc([B])cc2)cc1
InChIInChI=1S/C20H12B2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H
InChIKeyQAUMELPQPMIIOC-UHFFFAOYSA-N
MW301.95 g/mol
LogP2.55
Rot. Bonds2

About CID 88892730

CID 88892730 (PubChem CID 88892730) has the molecular formula C20H12B2N2 and a molecular weight of 301.95 g/mol.

Molecular Properties

Compound NameCID 88892730
PubChem CID88892730
Molecular FormulaC20H12B2N2
Molecular Weight301.95 g/mol
Exact Mass302.12
IUPAC Name—
SMILES[B]c1ccc(-c2nc3ccccc3nc2-c2ccc([B])cc2)cc1
InChIInChI=1S/C20H12B2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H
InChIKeyQAUMELPQPMIIOC-UHFFFAOYSA-N
XLogP2.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.95
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 88892730?
The IUPAC name of CID 88892730 (CID 88892730) is not available.
What is the SMILES notation for CID 88892730?
The canonical SMILES for CID 88892730 is [B]c1ccc(-c2nc3ccccc3nc2-c2ccc([B])cc2)cc1.
What is the InChIKey of CID 88892730?
The InChIKey is QAUMELPQPMIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12B2N2/c21-15-9-5-13(6-10-15)19-20(14-7-11-16(22)12-8-14)24-18-4-2-1-3-17(18)23-19/h1-12H.
What are the key properties of CID 88892730?
CID 88892730 has a molecular weight of 301.95 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88892730 is sourced from PubChem (CID 88892730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).