CID 147413538

C25H14B2 — CID 147413538

IUPAC—
SMILES[B]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([B])ccc1-2
InChIInChI=1S/C25H14B2/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
InChIKeyUSNAXMKQHCJINE-UHFFFAOYSA-N
MW336.01 g/mol
LogP3.62
Rot. Bonds

About CID 147413538

CID 147413538 (PubChem CID 147413538) has the molecular formula C25H14B2 and a molecular weight of 336.01 g/mol.

Molecular Properties

Compound NameCID 147413538
PubChem CID147413538
Molecular FormulaC25H14B2
Molecular Weight336.01 g/mol
Exact Mass336.13
IUPAC Name—
SMILES[B]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([B])ccc1-2
InChIInChI=1S/C25H14B2/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H
InChIKeyUSNAXMKQHCJINE-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.01
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 147413538?
The IUPAC name of CID 147413538 (CID 147413538) is not available.
What is the SMILES notation for CID 147413538?
The canonical SMILES for CID 147413538 is [B]c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc([B])ccc1-2.
What is the InChIKey of CID 147413538?
The InChIKey is USNAXMKQHCJINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14B2/c26-15-9-11-19-20-12-10-16(27)14-24(20)25(23(19)13-15)21-7-3-1-5-17(21)18-6-2-4-8-22(18)25/h1-14H.
What are the key properties of CID 147413538?
CID 147413538 has a molecular weight of 336.01 g/mol, XLogP of 3.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147413538 is sourced from PubChem (CID 147413538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).