CID 145464381

C24H15B — CID 145464381

IUPAC—
SMILES[B]c1ccc2c(c1)C1(C3=C(C=CC3)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C24H15B/c25-15-12-13-19-17-7-2-4-10-21(17)24(23(19)14-15)20-9-3-1-6-16(20)18-8-5-11-22(18)24/h1-10,12-14H,11H2
InChIKeyCFEGCVHPAVFYSJ-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.52
Rot. Bonds

About CID 145464381

CID 145464381 (PubChem CID 145464381) has the molecular formula C24H15B and a molecular weight of 314.20 g/mol.

Molecular Properties

Compound NameCID 145464381
PubChem CID145464381
Molecular FormulaC24H15B
Molecular Weight314.20 g/mol
Exact Mass314.13
IUPAC Name—
SMILES[B]c1ccc2c(c1)C1(C3=C(C=CC3)c3ccccc31)c1ccccc1-2
InChIInChI=1S/C24H15B/c25-15-12-13-19-17-7-2-4-10-21(17)24(23(19)14-15)20-9-3-1-6-16(20)18-8-5-11-22(18)24/h1-10,12-14H,11H2
InChIKeyCFEGCVHPAVFYSJ-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.52
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 145464381?
The IUPAC name of CID 145464381 (CID 145464381) is not available.
What is the SMILES notation for CID 145464381?
The canonical SMILES for CID 145464381 is [B]c1ccc2c(c1)C1(C3=C(C=CC3)c3ccccc31)c1ccccc1-2.
What is the InChIKey of CID 145464381?
The InChIKey is CFEGCVHPAVFYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15B/c25-15-12-13-19-17-7-2-4-10-21(17)24(23(19)14-15)20-9-3-1-6-16(20)18-8-5-11-22(18)24/h1-10,12-14H,11H2.
What are the key properties of CID 145464381?
CID 145464381 has a molecular weight of 314.20 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 145464381 is sourced from PubChem (CID 145464381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).