4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]

C21H10Br2S2 — CID 11799121

IUPAC4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]
SMILESBrc1cc2c(s1)-c1sc(Br)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C21H10Br2S2/c22-17-9-15-19(24-17)20-16(10-18(23)25-20)21(15)13-7-3-1-5-11(13)12-6-2-4-8-14(12)21/h1-10H
InChIKeyWEJFOAWBELMDHJ-UHFFFAOYSA-N
MW486.25 g/mol
LogP7.68
Rot. Bonds

About 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]

4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene] (PubChem CID 11799121) has the molecular formula C21H10Br2S2 and a molecular weight of 486.25 g/mol. Its IUPAC name is 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene].

Molecular Properties

Compound Name4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]
PubChem CID11799121
Molecular FormulaC21H10Br2S2
Molecular Weight486.25 g/mol
Exact Mass483.86
IUPAC Name4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]
SMILESBrc1cc2c(s1)-c1sc(Br)cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C21H10Br2S2/c22-17-9-15-19(24-17)20-16(10-18(23)25-20)21(15)13-7-3-1-5-11(13)12-6-2-4-8-14(12)21/h1-10H
InChIKeyWEJFOAWBELMDHJ-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.25
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene] with MolForge

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Related Compounds

2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
4-[9-(4-amino-3,5-dibromophenyl)fluoren-9-yl]-2,6-dibromoaniline
CID 141181007
4'-bromo-2'-chloro-9,9'-spirobi[fluorene]
CID 155003673
2-bromo-4-[9-(3-bromo-4-hydroxyphenyl)fluoren-9-yl]phenol
CID 23496560
2-[9-(2-hydroxyphenyl)fluoren-9-yl]phenol
CID 14438476
ethane;naphthalene;9,9'-spirobi[fluorene]
CID 162036420
4-bromospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 121391692
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
CID 86241062
CID 86241062
12,18-dibromospiro[4,26-dithiaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(27),2,5,7,9,11,13,16,18,20,22,24-dodecaene-15,9'-fluorene]
CID 129194034
2-bromo-10,10-diphenylspiro[anthracene-9,9'-fluorene]
CID 142567718
2'-(4-bromophenyl)-7'-phenyl-9,9'-spirobi[fluorene]
CID 142716244

Frequently Asked Questions

What is the IUPAC name of 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]?
The IUPAC name of 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene] (CID 11799121) is 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene].
What is the SMILES notation for 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]?
The canonical SMILES for 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene] is Brc1cc2c(s1)-c1sc(Br)cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]?
The InChIKey is WEJFOAWBELMDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Br2S2/c22-17-9-15-19(24-17)20-16(10-18(23)25-20)21(15)13-7-3-1-5-11(13)12-6-2-4-8-14(12)21/h1-10H.
What are the key properties of 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene]?
4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene] has a molecular weight of 486.25 g/mol, XLogP of 7.68, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-dibromospiro[3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-7,9'-fluorene] is sourced from PubChem (CID 11799121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).