CID 71032460

C24H15B2Cl3 — CID 71032460

IUPAC—
SMILESClc1ccc([B]c2ccc(-c3ccc([B]c4ccc(Cl)c(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C24H15B2Cl3/c27-22-12-9-20(10-13-22)25-18-5-1-16(2-6-18)17-3-7-19(8-4-17)26-21-11-14-23(28)24(29)15-21/h1-15H
InChIKeyTVVZDWOSGSICQG-UHFFFAOYSA-N
MW431.37 g/mol
LogP4.62
Rot. Bonds5

About CID 71032460

CID 71032460 (PubChem CID 71032460) has the molecular formula C24H15B2Cl3 and a molecular weight of 431.37 g/mol.

Molecular Properties

Compound NameCID 71032460
PubChem CID71032460
Molecular FormulaC24H15B2Cl3
Molecular Weight431.37 g/mol
Exact Mass430.04
IUPAC Name—
SMILESClc1ccc([B]c2ccc(-c3ccc([B]c4ccc(Cl)c(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C24H15B2Cl3/c27-22-12-9-20(10-13-22)25-18-5-1-16(2-6-18)17-3-7-19(8-4-17)26-21-11-14-23(28)24(29)15-21/h1-15H
InChIKeyTVVZDWOSGSICQG-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 54.62
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 71032460?
The IUPAC name of CID 71032460 (CID 71032460) is not available.
What is the SMILES notation for CID 71032460?
The canonical SMILES for CID 71032460 is Clc1ccc([B]c2ccc(-c3ccc([B]c4ccc(Cl)c(Cl)c4)cc3)cc2)cc1.
What is the InChIKey of CID 71032460?
The InChIKey is TVVZDWOSGSICQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15B2Cl3/c27-22-12-9-20(10-13-22)25-18-5-1-16(2-6-18)17-3-7-19(8-4-17)26-21-11-14-23(28)24(29)15-21/h1-15H.
What are the key properties of CID 71032460?
CID 71032460 has a molecular weight of 431.37 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71032460 is sourced from PubChem (CID 71032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).