5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]

C25H16BrClO — CID 139476045

IUPAC5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]
SMILESClc1ccc2c(c1)C1(c3ccccc3OC3=CC=CCC31)c1cccc(Br)c1-2
InChIInChI=1S/C25H16BrClO/c26-21-9-5-8-19-24(21)16-13-12-15(27)14-20(16)25(19)17-6-1-3-10-22(17)28-23-11-4-2-7-18(23)25/h1-6,8-14,18H,7H2
InChIKeyVIGINFBZRPJDJF-UHFFFAOYSA-N
MW447.76 g/mol
LogP7.27
Rot. Bonds

About 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]

5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene] (PubChem CID 139476045) has the molecular formula C25H16BrClO and a molecular weight of 447.76 g/mol. Its IUPAC name is 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene].

Molecular Properties

Compound Name5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]
PubChem CID139476045
Molecular FormulaC25H16BrClO
Molecular Weight447.76 g/mol
Exact Mass446.01
IUPAC Name5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]
SMILESClc1ccc2c(c1)C1(c3ccccc3OC3=CC=CCC31)c1cccc(Br)c1-2
InChIInChI=1S/C25H16BrClO/c26-21-9-5-8-19-24(21)16-13-12-15(27)14-20(16)25(19)17-6-1-3-10-22(17)28-23-11-4-2-7-18(23)25/h1-6,8-14,18H,7H2
InChIKeyVIGINFBZRPJDJF-UHFFFAOYSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.76
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-phenyl-1-(6'-phenylspiro[1,9a-dihydroxanthene-9,9'-xanthene]-3'-yl)carbazole
CID 118860674
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
CID 163284705
1-phenyl-N-[(E)-1-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylprop-1-enyl]ethanimine
CID 130379244
4-(4-cyclohexa-2,4-dien-1-ylnaphthalen-1-yl)-6-phenyl-2-(2-spiro[8,8a-dihydroxanthene-9,9'-fluorene]-3-ylphenyl)pyrimidine
CID 130379515
5-bromo-3-chloro-9,9-dimethylfluorene
CID 175668699
5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
CID 155157623
2-phenyl-6-[3-(6-phenyl-1,2-dihydropyridin-2-yl)spiro[1,2,8,8a-tetrahydroxanthene-9,9'-xanthene]-3'-yl]pyridine
CID 118860653
2,4-bis(3-phenylphenyl)-6-(4-spiro[3,4-dihydrofluorene-9,9'-8,8a-dihydroxanthene]-3'-ylphenyl)-1,3,5-triazine
CID 130379921
7-chlorospiro[fluorene-9,9'-xanthene]-2-carbonitrile
CID 139034721
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
2',7'-dicyclohexyl-N-phenyl-N-spiro[8,8a-dihydrofluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174279417
4'-bromo-4-chloro-9,9'-spirobi[fluorene]
CID 139434314

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]?
The IUPAC name of 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene] (CID 139476045) is 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene].
What is the SMILES notation for 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]?
The canonical SMILES for 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene] is Clc1ccc2c(c1)C1(c3ccccc3OC3=CC=CCC31)c1cccc(Br)c1-2.
What is the InChIKey of 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]?
The InChIKey is VIGINFBZRPJDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrClO/c26-21-9-5-8-19-24(21)16-13-12-15(27)14-20(16)25(19)17-6-1-3-10-22(17)28-23-11-4-2-7-18(23)25/h1-6,8-14,18H,7H2.
What are the key properties of 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]?
5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene] has a molecular weight of 447.76 g/mol, XLogP of 7.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene] is sourced from PubChem (CID 139476045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).