2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]

C29H23BrS — CID 170180910

IUPAC2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(Br)ccc1-2
InChIInChI=1S/C29H23BrS/c1-28(2,3)18-12-14-20-21-15-13-19(30)17-25(21)29(24(20)16-18)22-8-4-6-10-26(22)31-27-11-7-5-9-23(27)29/h4-17H,1-3H3
InChIKeySCQFOQIFEROLGQ-UHFFFAOYSA-N
MW483.47 g/mol
LogP8.57
Rot. Bonds

About 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]

2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene] (PubChem CID 170180910) has the molecular formula C29H23BrS and a molecular weight of 483.47 g/mol. Its IUPAC name is 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene].

Molecular Properties

Compound Name2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
PubChem CID170180910
Molecular FormulaC29H23BrS
Molecular Weight483.47 g/mol
Exact Mass482.07
IUPAC Name2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(Br)ccc1-2
InChIInChI=1S/C29H23BrS/c1-28(2,3)18-12-14-20-21-15-13-19(30)17-25(21)29(24(20)16-18)22-8-4-6-10-26(22)31-27-11-7-5-9-23(27)29/h4-17H,1-3H3
InChIKeySCQFOQIFEROLGQ-UHFFFAOYSA-N
XLogP8.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene] 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

11'-bromospiro[benzo[b]thioxanthene-12,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 134571729
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene];11'-bromo-17'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene];17'-bromo-10'-methylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]
CID 158023703
9'-bromo-2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]
CID 153288141
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-amine
CID 151739192
4-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177127479
2-N',7-N'-bis(4-bromophenyl)-2,7-ditert-butyl-2-N',7-N'-bis(4-tert-butylphenyl)-9,9'-spirobi[fluorene]-2',7'-diamine
CID 59718361
CID 68800956
CID 68800956
2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174283536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]?
The IUPAC name of 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene] (CID 170180910) is 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene].
What is the SMILES notation for 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]?
The canonical SMILES for 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene] is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)c1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]?
The InChIKey is SCQFOQIFEROLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23BrS/c1-28(2,3)18-12-14-20-21-15-13-19(30)17-25(21)29(24(20)16-18)22-8-4-6-10-26(22)31-27-11-7-5-9-23(27)29/h4-17H,1-3H3.
What are the key properties of 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]?
2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene] has a molecular weight of 483.47 g/mol, XLogP of 8.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene] is sourced from PubChem (CID 170180910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).