CID 173495218

C16H14B2 — CID 173495218

IUPAC—
SMILESC[B]c1ccc2c(ccc3cc([B]C)ccc32)c1
InChIInChI=1S/C16H14B2/c1-17-13-5-7-15-11(9-13)3-4-12-10-14(18-2)6-8-16(12)15/h3-10H,1-2H3
InChIKeyBYXKNIOFHNCYGR-UHFFFAOYSA-N
MW227.91 g/mol
LogP2.75
Rot. Bonds2

About CID 173495218

CID 173495218 (PubChem CID 173495218) has the molecular formula C16H14B2 and a molecular weight of 227.91 g/mol.

Molecular Properties

Compound NameCID 173495218
PubChem CID173495218
Molecular FormulaC16H14B2
Molecular Weight227.91 g/mol
Exact Mass228.13
IUPAC Name—
SMILESC[B]c1ccc2c(ccc3cc([B]C)ccc32)c1
InChIInChI=1S/C16H14B2/c1-17-13-5-7-15-11(9-13)3-4-12-10-14(18-2)6-8-16(12)15/h3-10H,1-2H3
InChIKeyBYXKNIOFHNCYGR-UHFFFAOYSA-N
XLogP2.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.91
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173495218?
The IUPAC name of CID 173495218 (CID 173495218) is not available.
What is the SMILES notation for CID 173495218?
The canonical SMILES for CID 173495218 is C[B]c1ccc2c(ccc3cc([B]C)ccc32)c1.
What is the InChIKey of CID 173495218?
The InChIKey is BYXKNIOFHNCYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14B2/c1-17-13-5-7-15-11(9-13)3-4-12-10-14(18-2)6-8-16(12)15/h3-10H,1-2H3.
What are the key properties of CID 173495218?
CID 173495218 has a molecular weight of 227.91 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173495218 is sourced from PubChem (CID 173495218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).