5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]

C25H16BrClO — CID 155157623

IUPAC5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
SMILESClc1ccc2c(c1)C1(C3=CCCC=C3c3ccccc31)c1cccc(Br)c1O2
InChIInChI=1S/C25H16BrClO/c26-22-11-5-10-20-24(22)28-23-13-12-15(27)14-21(23)25(20)18-8-3-1-6-16(18)17-7-2-4-9-19(17)25/h1,3,5-14H,2,4H2
InChIKeyYBOQBAXDCCWLCF-UHFFFAOYSA-N
MW447.76 g/mol
LogP7.66
Rot. Bonds

About 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]

5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene] (PubChem CID 155157623) has the molecular formula C25H16BrClO and a molecular weight of 447.76 g/mol. Its IUPAC name is 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene].

Molecular Properties

Compound Name5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
PubChem CID155157623
Molecular FormulaC25H16BrClO
Molecular Weight447.76 g/mol
Exact Mass446.01
IUPAC Name5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]
SMILESClc1ccc2c(c1)C1(C3=CCCC=C3c3ccccc31)c1cccc(Br)c1O2
InChIInChI=1S/C25H16BrClO/c26-22-11-5-10-20-24(22)28-23-13-12-15(27)14-21(23)25(20)18-8-3-1-6-16(18)17-7-2-4-9-19(17)25/h1,3,5-14H,2,4H2
InChIKeyYBOQBAXDCCWLCF-UHFFFAOYSA-N
XLogP7.66
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 ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7'-chlorospiro[fluorene-9,9'-xanthene]-4'-yl)aniline
CID 139477235
N,N-diphenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-amine
CID 138582173
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
7-chlorospiro[2,3-dihydrofluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7-tetraene]
CID 138555365
4-bromo-3'-chlorospiro[benzo[c]fluorene-7,9'-xanthene]
CID 163284705
3'-bromo-6'-chlorospiro[fluorene-9,9'-xanthene]
CID 148559935
(10Z,12Z)-4'-bromo-9-methylidenespiro[tricyclo[13.4.0.03,8]nonadeca-1(19),3,5,7,10,12,15,17-octaene-2,9'-xanthene]
CID 121391893
16-bromo-10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene
CID 138574315
4-bromospiro[8H-cyclohepta[b]chromene-11,9'-fluorene]
CID 134504794
5'-bromo-2'-chlorospiro[1,9a-dihydroxanthene-9,9'-fluorene]
CID 139476045
2-chloro-8,8-diphenylindeno[1,2-a]oxanthrene
CID 138575019

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]?
The IUPAC name of 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene] (CID 155157623) is 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene].
What is the SMILES notation for 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]?
The canonical SMILES for 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene] is Clc1ccc2c(c1)C1(C3=CCCC=C3c3ccccc31)c1cccc(Br)c1O2.
What is the InChIKey of 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]?
The InChIKey is YBOQBAXDCCWLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16BrClO/c26-22-11-5-10-20-24(22)28-23-13-12-15(27)14-21(23)25(20)18-8-3-1-6-16(18)17-7-2-4-9-19(17)25/h1,3,5-14H,2,4H2.
What are the key properties of 5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene]?
5'-bromo-2'-chlorospiro[2,3-dihydrofluorene-9,9'-xanthene] has a molecular weight of 447.76 g/mol, XLogP of 7.66, 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[2,3-dihydrofluorene-9,9'-xanthene] is sourced from PubChem (CID 155157623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).