3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]

C29H16Br2O — CID 164550694

IUPAC3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
SMILESBrc1ccc2c(c1)Oc1cc(Br)ccc1C21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C29H16Br2O/c30-18-10-13-23-26(15-18)32-27-16-19(31)11-14-24(27)29(23)22-8-4-3-7-21(22)28-20-6-2-1-5-17(20)9-12-25(28)29/h1-16H
InChIKeyIEEHWHIZRRFXDK-UHFFFAOYSA-N
MW540.25 g/mol
LogP8.83
Rot. Bonds

About 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]

3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene] (PubChem CID 164550694) has the molecular formula C29H16Br2O and a molecular weight of 540.25 g/mol. Its IUPAC name is 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene].

Molecular Properties

Compound Name3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
PubChem CID164550694
Molecular FormulaC29H16Br2O
Molecular Weight540.25 g/mol
Exact Mass537.96
IUPAC Name3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]
SMILESBrc1ccc2c(c1)Oc1cc(Br)ccc1C21c2ccccc2-c2c1ccc1ccccc21
InChIInChI=1S/C29H16Br2O/c30-18-10-13-23-26(15-18)32-27-16-19(31)11-14-24(27)29(23)22-8-4-3-7-21(22)28-20-6-2-1-5-17(20)9-12-25(28)29/h1-16H
InChIKeyIEEHWHIZRRFXDK-UHFFFAOYSA-N
XLogP8.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.25
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134272960
CID 134272960
5-bromospiro[benzo[c]fluorene-7,9'-fluorene];spiro[benzo[c]fluorene-7,9'-fluorene]
CID 158615914
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
2-(9-bromospiro[benzo[c]fluorene-7,9'-fluorene]-4'-yl)pyridine
CID 134194075
spiro[hexacyclo[12.11.0.02,11.05,10.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),19,21,23-dodecaene-18,9'-xanthene]
CID 171742859
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
triphenyl(spiro[benzo[g]fluorene-7,9'-xanthene]-9-yl)silane
CID 171742854
4'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 140792308
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
CID 163284705
12-(4-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126905

Frequently Asked Questions

What is the IUPAC name of 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]?
The IUPAC name of 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene] (CID 164550694) is 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene].
What is the SMILES notation for 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]?
The canonical SMILES for 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene] is Brc1ccc2c(c1)Oc1cc(Br)ccc1C21c2ccccc2-c2c1ccc1ccccc21.
What is the InChIKey of 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]?
The InChIKey is IEEHWHIZRRFXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16Br2O/c30-18-10-13-23-26(15-18)32-27-16-19(31)11-14-24(27)29(23)22-8-4-3-7-21(22)28-20-6-2-1-5-17(20)9-12-25(28)29/h1-16H.
What are the key properties of 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene]?
3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene] has a molecular weight of 540.25 g/mol, XLogP of 8.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dibromospiro[benzo[c]fluorene-7,9'-xanthene] is sourced from PubChem (CID 164550694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).