CID 175282704

C20H14B — CID 175282704

IUPAC—
SMILES[B].c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.B/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;/h1-14H;
InChIKeyVEFSQPUDVKLOQI-UHFFFAOYSA-N
MW265.14 g/mol
LogP5.28
Rot. Bonds1

About CID 175282704

CID 175282704 (PubChem CID 175282704) has the molecular formula C20H14B and a molecular weight of 265.14 g/mol.

Molecular Properties

Compound NameCID 175282704
PubChem CID175282704
Molecular FormulaC20H14B
Molecular Weight265.14 g/mol
Exact Mass265.12
IUPAC Name—
SMILES[B].c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.B/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;/h1-14H;
InChIKeyVEFSQPUDVKLOQI-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.14
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22138017
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CID 20606742
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2-(2-naphthalen-1-ylphenyl)phenol
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Frequently Asked Questions

What is the IUPAC name of CID 175282704?
The IUPAC name of CID 175282704 (CID 175282704) is not available.
What is the SMILES notation for CID 175282704?
The canonical SMILES for CID 175282704 is [B].c1ccc2c(-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of CID 175282704?
The InChIKey is VEFSQPUDVKLOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.B/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;/h1-14H;.
What are the key properties of CID 175282704?
CID 175282704 has a molecular weight of 265.14 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175282704 is sourced from PubChem (CID 175282704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).