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

C25H15BrO — CID 11546047

IUPAC2-bromospiro[fluorene-9,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H15BrO/c26-16-13-14-18-17-7-1-2-8-19(17)25(22(18)15-16)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)25/h1-15H
InChIKeyMNBDZJINQUZDFP-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 11546047) 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 CID11546047
Molecular FormulaC25H15BrO
Molecular Weight411.30 g/mol
Exact Mass410.03
IUPAC Name2-bromospiro[fluorene-9,9'-xanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1ccccc1-2
InChIInChI=1S/C25H15BrO/c26-16-13-14-18-17-7-1-2-8-19(17)25(22(18)15-16)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)25/h1-15H
InChIKeyMNBDZJINQUZDFP-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

2'-Bromospiro[fluorene-9,9'-xanthene]
CID 90153653
4-Bromospiro[fluorene-9,9'-xanthene]
CID 90153673
Spiro[fluorene-9,9'-xanthene]
CID 22015965
9-Fluoren-9-ylidenexanthene
CID 12490931
4-Bromophenylphenyl ether
CID 20385757
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
2,7-Dibromo-9-(4-(octyloxy)phenyl)-fluorene
CID 129825439
2-Bromo-9,9-bis(4-butoxyphenyl)-fluorene
CID 154574400
2,7-Dibromo-9,9-bis[8-(2,3,4,5,6-pentafluorophenoxy)octyl]fluorene
CID 58274120

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 11546047) 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(c3ccccc3Oc3ccccc31)c1ccccc1-2.
What is the InChIKey of 2-bromospiro[fluorene-9,9'-xanthene]?
The InChIKey is MNBDZJINQUZDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15BrO/c26-16-13-14-18-17-7-1-2-8-19(17)25(22(18)15-16)20-9-3-5-11-23(20)27-24-12-6-4-10-21(24)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 11546047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).