2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde

C22H16Br2O — CID 174498998

IUPAC2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde
SMILESCc1cc(-c2ccc3c(c2)C(C=O)c2cc(Br)ccc2-3)cc(C)c1Br
InChIInChI=1S/C22H16Br2O/c1-12-7-15(8-13(2)22(12)24)14-3-5-17-18-6-4-16(23)10-20(18)21(11-25)19(17)9-14/h3-11,21H,1-2H3
InChIKeyZLIULYAENDSKNJ-UHFFFAOYSA-N
MW456.18 g/mol
LogP6.81
Rot. Bonds2

About 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde

2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde (PubChem CID 174498998) has the molecular formula C22H16Br2O and a molecular weight of 456.18 g/mol. Its IUPAC name is 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde
PubChem CID174498998
Molecular FormulaC22H16Br2O
Molecular Weight456.18 g/mol
Exact Mass453.96
IUPAC Name2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde
SMILESCc1cc(-c2ccc3c(c2)C(C=O)c2cc(Br)ccc2-3)cc(C)c1Br
InChIInChI=1S/C22H16Br2O/c1-12-7-15(8-13(2)22(12)24)14-3-5-17-18-6-4-16(23)10-20(18)21(11-25)19(17)9-14/h3-11,21H,1-2H3
InChIKeyZLIULYAENDSKNJ-UHFFFAOYSA-N
XLogP6.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.18
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde?
The IUPAC name of 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde (CID 174498998) is 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde is Cc1cc(-c2ccc3c(c2)C(C=O)c2cc(Br)ccc2-3)cc(C)c1Br.
What is the InChIKey of 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde?
The InChIKey is ZLIULYAENDSKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Br2O/c1-12-7-15(8-13(2)22(12)24)14-3-5-17-18-6-4-16(23)10-20(18)21(11-25)19(17)9-14/h3-11,21H,1-2H3.
What are the key properties of 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde?
2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde has a molecular weight of 456.18 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(4-bromo-3,5-dimethylphenyl)-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 174498998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).