CID 174030221

C20H19B2N — CID 174030221

IUPAC—
SMILES[B]c1nc(-c2cc(C)cc(C)c2)c2ccc(C(C)C)cc2c1[B]
InChIInChI=1S/C20H19B2N/c1-11(2)14-5-6-16-17(10-14)18(21)20(22)23-19(16)15-8-12(3)7-13(4)9-15/h5-11H,1-4H3
InChIKeySEUREXOOXMPUFW-UHFFFAOYSA-N
MW295.00 g/mol
LogP3.23
Rot. Bonds2

About CID 174030221

CID 174030221 (PubChem CID 174030221) has the molecular formula C20H19B2N and a molecular weight of 295.00 g/mol.

Molecular Properties

Compound NameCID 174030221
PubChem CID174030221
Molecular FormulaC20H19B2N
Molecular Weight295.00 g/mol
Exact Mass295.17
IUPAC Name—
SMILES[B]c1nc(-c2cc(C)cc(C)c2)c2ccc(C(C)C)cc2c1[B]
InChIInChI=1S/C20H19B2N/c1-11(2)14-5-6-16-17(10-14)18(21)20(22)23-19(16)15-8-12(3)7-13(4)9-15/h5-11H,1-4H3
InChIKeySEUREXOOXMPUFW-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.00
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 174030221?
The IUPAC name of CID 174030221 (CID 174030221) is not available.
What is the SMILES notation for CID 174030221?
The canonical SMILES for CID 174030221 is [B]c1nc(-c2cc(C)cc(C)c2)c2ccc(C(C)C)cc2c1[B].
What is the InChIKey of CID 174030221?
The InChIKey is SEUREXOOXMPUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19B2N/c1-11(2)14-5-6-16-17(10-14)18(21)20(22)23-19(16)15-8-12(3)7-13(4)9-15/h5-11H,1-4H3.
What are the key properties of CID 174030221?
CID 174030221 has a molecular weight of 295.00 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174030221 is sourced from PubChem (CID 174030221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).