4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]

C30H19Br3 — CID 102239343

IUPAC4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]
SMILESBrC(Br)C1=C(C2c3ccccc3-c3ccccc32)C(Br)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C30H19Br3/c31-28-26(25-21-13-3-1-9-17(21)18-10-2-4-14-22(18)25)27(29(32)33)30(28)23-15-7-5-11-19(23)20-12-6-8-16-24(20)30/h1-16,25,28-29H
InChIKeyMIOHLHJJQWOSPT-UHFFFAOYSA-N
MW619.19 g/mol
LogP8.96
Rot. Bonds2

About 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]

4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene] (PubChem CID 102239343) has the molecular formula C30H19Br3 and a molecular weight of 619.19 g/mol. Its IUPAC name is 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene].

Molecular Properties

Compound Name4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]
PubChem CID102239343
Molecular FormulaC30H19Br3
Molecular Weight619.19 g/mol
Exact Mass615.90
IUPAC Name4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]
SMILESBrC(Br)C1=C(C2c3ccccc3-c3ccccc32)C(Br)C12c1ccccc1-c1ccccc12
InChIInChI=1S/C30H19Br3/c31-28-26(25-21-13-3-1-9-17(21)18-10-2-4-14-22(18)25)27(29(32)33)30(28)23-15-7-5-11-19(23)20-12-6-8-16-24(20)30/h1-16,25,28-29H
InChIKeyMIOHLHJJQWOSPT-UHFFFAOYSA-N
XLogP8.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.19
LogP ≤ 58.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]?
The IUPAC name of 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene] (CID 102239343) is 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene].
What is the SMILES notation for 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]?
The canonical SMILES for 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene] is BrC(Br)C1=C(C2c3ccccc3-c3ccccc32)C(Br)C12c1ccccc1-c1ccccc12.
What is the InChIKey of 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]?
The InChIKey is MIOHLHJJQWOSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Br3/c31-28-26(25-21-13-3-1-9-17(21)18-10-2-4-14-22(18)25)27(29(32)33)30(28)23-15-7-5-11-19(23)20-12-6-8-16-24(20)30/h1-16,25,28-29H.
What are the key properties of 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene]?
4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene] has a molecular weight of 619.19 g/mol, XLogP of 8.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(dibromomethyl)-1-(9H-fluoren-9-yl)spiro[cyclobutene-3,9'-fluorene] is sourced from PubChem (CID 102239343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).