4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde

C32H19BrO — CID 58444291

IUPAC4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Br)ccc2-3)cc1
InChIInChI=1S/C32H19BrO/c33-23-14-16-27-26-15-13-22(21-11-9-20(19-34)10-12-21)17-30(26)32(31(27)18-23)28-7-3-1-5-24(28)25-6-2-4-8-29(25)32/h1-19H
InChIKeyZNYJKRUZBXJPGW-UHFFFAOYSA-N
MW499.41 g/mol
LogP8.27
Rot. Bonds2

About 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde

4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde (PubChem CID 58444291) has the molecular formula C32H19BrO and a molecular weight of 499.41 g/mol. Its IUPAC name is 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde.

Molecular Properties

Compound Name4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
PubChem CID58444291
Molecular FormulaC32H19BrO
Molecular Weight499.41 g/mol
Exact Mass498.06
IUPAC Name4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Br)ccc2-3)cc1
InChIInChI=1S/C32H19BrO/c33-23-14-16-27-26-15-13-22(21-11-9-20(19-34)10-12-21)17-30(26)32(31(27)18-23)28-7-3-1-5-24(28)25-6-2-4-8-29(25)32/h1-19H
InChIKeyZNYJKRUZBXJPGW-UHFFFAOYSA-N
XLogP8.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.41
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2-(4-bromophenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]
CID 129087141
2'-bromo-7'-naphthalen-1-yl-9,9'-spirobi[fluorene]
CID 130452820
2-[3-(2',7'-dibromo-9,9'-spirobi[fluorene]-2-yl)phenyl]pyridine
CID 66807387
4-(7-bromo-9,9-dioctylfluoren-2-yl)benzaldehyde
CID 169223631
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
4-[6-(4-formylphenyl)-2',7'-dimethyl-9,9'-spirobi[fluorene]-3-yl]benzaldehyde
CID 58544474
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
10',11',17'-tribromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8,10,12,16,18-nonaene]
CID 130268416
2-[4-(2'-bromo-9,9'-spirobi[fluorene]-2-yl)phenyl]-1-phenylbenzimidazole
CID 130287427

Frequently Asked Questions

What is the IUPAC name of 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde?
The IUPAC name of 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde (CID 58444291) is 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde.
What is the SMILES notation for 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde?
The canonical SMILES for 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde is O=Cc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(Br)ccc2-3)cc1.
What is the InChIKey of 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde?
The InChIKey is ZNYJKRUZBXJPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19BrO/c33-23-14-16-27-26-15-13-22(21-11-9-20(19-34)10-12-21)17-30(26)32(31(27)18-23)28-7-3-1-5-24(28)25-6-2-4-8-29(25)32/h1-19H.
What are the key properties of 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde?
4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde has a molecular weight of 499.41 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7'-bromo-9,9'-spirobi[fluorene]-2'-yl)benzaldehyde is sourced from PubChem (CID 58444291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).