4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde

C20H12Br2O2 — CID 59245492

IUPAC4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde
SMILESO=Cc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C20H12Br2O2/c21-14-5-7-16-17-8-6-15(22)10-19(17)20(24,18(16)9-14)13-3-1-12(11-23)2-4-13/h1-11,24H
InChIKeyPHWVHURQHATSDD-UHFFFAOYSA-N
MW444.12 g/mol
LogP5.29
Rot. Bonds2

About 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde

4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde (PubChem CID 59245492) has the molecular formula C20H12Br2O2 and a molecular weight of 444.12 g/mol. Its IUPAC name is 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde
PubChem CID59245492
Molecular FormulaC20H12Br2O2
Molecular Weight444.12 g/mol
Exact Mass441.92
IUPAC Name4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde
SMILESO=Cc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1
InChIInChI=1S/C20H12Br2O2/c21-14-5-7-16-17-8-6-15(22)10-19(17)20(24,18(16)9-14)13-3-1-12(11-23)2-4-13/h1-11,24H
InChIKeyPHWVHURQHATSDD-UHFFFAOYSA-N
XLogP5.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.12
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde?
The IUPAC name of 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde (CID 59245492) is 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde.
What is the SMILES notation for 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde?
The canonical SMILES for 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde is O=Cc1ccc(C2(O)c3cc(Br)ccc3-c3ccc(Br)cc32)cc1.
What is the InChIKey of 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde?
The InChIKey is PHWVHURQHATSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Br2O2/c21-14-5-7-16-17-8-6-15(22)10-19(17)20(24,18(16)9-14)13-3-1-12(11-23)2-4-13/h1-11,24H.
What are the key properties of 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde?
4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde has a molecular weight of 444.12 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dibromo-9-hydroxyfluoren-9-yl)benzaldehyde is sourced from PubChem (CID 59245492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).