5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]

C25H16B2Br2 — CID 155655846

IUPAC5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]
SMILESBrB1c2ccccc2C2(c3ccccc31)c1ccccc1B(Br)c1ccccc12
InChIInChI=1S/C25H16B2Br2/c28-26-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)26)19-11-3-7-15-23(19)27(29)24-16-8-4-12-20(24)25/h1-16H
InChIKeyWPRBFDBPSAPZDA-UHFFFAOYSA-N
MW497.84 g/mol
LogP3.70
Rot. Bonds

About 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]

5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine] (PubChem CID 155655846) has the molecular formula C25H16B2Br2 and a molecular weight of 497.84 g/mol. Its IUPAC name is 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine].

Molecular Properties

Compound Name5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]
PubChem CID155655846
Molecular FormulaC25H16B2Br2
Molecular Weight497.84 g/mol
Exact Mass495.98
IUPAC Name5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]
SMILESBrB1c2ccccc2C2(c3ccccc31)c1ccccc1B(Br)c1ccccc12
InChIInChI=1S/C25H16B2Br2/c28-26-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)26)19-11-3-7-15-23(19)27(29)24-16-8-4-12-20(24)25/h1-16H
InChIKeyWPRBFDBPSAPZDA-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.84
LogP ≤ 53.70
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 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]?
The IUPAC name of 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine] (CID 155655846) is 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine].
What is the SMILES notation for 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]?
The canonical SMILES for 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine] is BrB1c2ccccc2C2(c3ccccc31)c1ccccc1B(Br)c1ccccc12.
What is the InChIKey of 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]?
The InChIKey is WPRBFDBPSAPZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16B2Br2/c28-26-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)26)19-11-3-7-15-23(19)27(29)24-16-8-4-12-20(24)25/h1-16H.
What are the key properties of 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine]?
5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine] has a molecular weight of 497.84 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dibromo-10,10'-spirobi[benzo[b][1]benzoborinine] is sourced from PubChem (CID 155655846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).