dippy

C34H24B2N2O2 — CID 139166816

IUPAC—
SMILESc1ccc2c(c1)O[B-]1(c3ccccc3[B-]3(Oc4ccccc4-c4cccc[n+]43)c3ccccc31)[n+]1ccccc1-2
InChIInChI=1S/C34H24B2N2O2/c1-7-21-33-25(13-1)31-19-9-11-23-37(31)35(39-33)27-15-3-5-17-29(27)36(30-18-6-4-16-28(30)35)38-24-12-10-20-32(38)26-14-2-8-22-34(26)40-36/h1-24H
InChIKeyJKQDJYXZIXAIFH-UHFFFAOYSA-N
MW514.20 g/mol
LogP2.90
Rot. Bonds

About dippy

dippy (PubChem CID 139166816) has the molecular formula C34H24B2N2O2 and a molecular weight of 514.20 g/mol.

Molecular Properties

Compound Namedippy
PubChem CID139166816
Molecular FormulaC34H24B2N2O2
Molecular Weight514.20 g/mol
Exact Mass514.20
IUPAC Name—
SMILESc1ccc2c(c1)O[B-]1(c3ccccc3[B-]3(Oc4ccccc4-c4cccc[n+]43)c3ccccc31)[n+]1ccccc1-2
InChIInChI=1S/C34H24B2N2O2/c1-7-21-33-25(13-1)31-19-9-11-23-37(31)35(39-33)27-15-3-5-17-29(27)36(30-18-6-4-16-28(30)35)38-24-12-10-20-32(38)26-14-2-8-22-34(26)40-36/h1-24H
InChIKeyJKQDJYXZIXAIFH-UHFFFAOYSA-N
XLogP2.90
TPSA26.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dippy?
The IUPAC name of dippy (CID 139166816) is not available.
What is the SMILES notation for dippy?
The canonical SMILES for dippy is c1ccc2c(c1)O[B-]1(c3ccccc3[B-]3(Oc4ccccc4-c4cccc[n+]43)c3ccccc31)[n+]1ccccc1-2.
What is the InChIKey of dippy?
The InChIKey is JKQDJYXZIXAIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24B2N2O2/c1-7-21-33-25(13-1)31-19-9-11-23-37(31)35(39-33)27-15-3-5-17-29(27)36(30-18-6-4-16-28(30)35)38-24-12-10-20-32(38)26-14-2-8-22-34(26)40-36/h1-24H.
What are the key properties of dippy?
dippy has a molecular weight of 514.20 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dippy is sourced from PubChem (CID 139166816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).