2'-bromospiro[fluorene-9,9'-xanthene]

C25H15BrO — CID 90153653

IUPAC2'-bromospiro[fluorene-9,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H15BrO/c26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-15H
InChIKeyKMSXKCVWGSWZGB-UHFFFAOYSA-N
MW411.30 g/mol
LogP6.92
Rot. Bonds

About 2'-bromospiro[fluorene-9,9'-xanthene]

2'-bromospiro[fluorene-9,9'-xanthene] (PubChem CID 90153653) has the molecular formula C25H15BrO and a molecular weight of 411.30 g/mol. Its IUPAC name is 2'-bromospiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-bromospiro[fluorene-9,9'-xanthene]
PubChem CID90153653
Molecular FormulaC25H15BrO
Molecular Weight411.30 g/mol
Exact Mass410.03
IUPAC Name2'-bromospiro[fluorene-9,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H15BrO/c26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-15H
InChIKeyKMSXKCVWGSWZGB-UHFFFAOYSA-N
XLogP6.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.30
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromospiro[fluorene-9,9'-xanthene]
CID 90153673
Spiro[fluorene-9,9'-xanthene]
CID 22015965
9-Fluoren-9-ylidenexanthene
CID 12490931
2-Bromospiro[fluorene-9,9'-xanthene]
CID 11546047
2-bromo-9H-xanthene
CID 21548919
p-Bromophenylphenyl ether
CID 68114767
2,7-Dibromospiro[fluorene-9,7'-dibenzo[c,h]xanthene]
CID 89853978
2-Bromo-9-methyl-9-phenylxanthene
CID 90153679
2,7-Dibromo-3',6'-dioctoxyspiro[fluorene-9,9'-xanthene]
CID 101383164
2,7-Dibromo-4-(octyloxy)-9,9-diphenyl-fluorene
CID 102228343
2-Bromo-9,9-bis(4-butoxyphenyl)-fluorene
CID 154574400
2-Bromo-7-fluorospiro[fluorene-9,9'-xanthene]
CID 145003062

Frequently Asked Questions

What is the IUPAC name of 2'-bromospiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-bromospiro[fluorene-9,9'-xanthene] (CID 90153653) is 2'-bromospiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-bromospiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-bromospiro[fluorene-9,9'-xanthene] is Brc1ccc2c(c1)C1(c3ccccc3O2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2'-bromospiro[fluorene-9,9'-xanthene]?
The InChIKey is KMSXKCVWGSWZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrO/c26-16-13-14-24-22(15-16)25(21-11-5-6-12-23(21)27-24)19-9-3-1-7-17(19)18-8-2-4-10-20(18)25/h1-15H.
What are the key properties of 2'-bromospiro[fluorene-9,9'-xanthene]?
2'-bromospiro[fluorene-9,9'-xanthene] has a molecular weight of 411.30 g/mol, XLogP of 6.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromospiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 90153653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).