9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]

C29H19BrS — CID 155036568

IUPAC9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)C1C=Cc3ccccc3C21
InChIInChI=1S/C29H19BrS/c30-19-14-15-21-25(17-19)29(24-16-13-18-7-1-2-8-20(18)28(21)24)22-9-3-5-11-26(22)31-27-12-6-4-10-23(27)29/h1-17,24,28H
InChIKeyWAKZCWDKVBLZBE-UHFFFAOYSA-N
MW479.44 g/mol
LogP8.04
Rot. Bonds

About 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]

9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene] (PubChem CID 155036568) has the molecular formula C29H19BrS and a molecular weight of 479.44 g/mol. Its IUPAC name is 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene].

Molecular Properties

Compound Name9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]
PubChem CID155036568
Molecular FormulaC29H19BrS
Molecular Weight479.44 g/mol
Exact Mass478.04
IUPAC Name9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]
SMILESBrc1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)C1C=Cc3ccccc3C21
InChIInChI=1S/C29H19BrS/c30-19-14-15-21-25(17-19)29(24-16-13-18-7-1-2-8-20(18)28(21)24)22-9-3-5-11-26(22)31-27-12-6-4-10-23(27)29/h1-17,24,28H
InChIKeyWAKZCWDKVBLZBE-UHFFFAOYSA-N
XLogP8.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.44
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-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

2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]
CID 166825938
4-[4-(4-chlorospiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4'-yl)phenyl]benzonitrile
CID 139477041
2-(3-bromophenyl)-9,9-dimethylthioxanthene
CID 166679111
3-[4-[4-(4-bromophenyl)phenyl]phenyl]benzo[b][1]benzothiepine
CID 139535339
2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
CID 170180910
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
10-N,21-N,21-N-triphenyl-10-N-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4-yl-12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene-10,21-diamine
CID 155484393
(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol
CID 102268825
1'-bromospiro[fluorene-9,9'-thioxanthene]
CID 175709351
2,7-dibromospiro[4a,9a-dihydrofluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-3,5,7,10,12(23),13(18),16,19-octaene]
CID 126712554
2,4-diphenyl-6-spiro[4a,9a-dihydrofluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 139549753
8-[5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[4b,8a-dihydrofluorene-9,9'-thioxanthene]-4-yl]quinoline
CID 163587443

Frequently Asked Questions

What is the IUPAC name of 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]?
The IUPAC name of 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene] (CID 155036568) is 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene].
What is the SMILES notation for 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]?
The canonical SMILES for 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene] is Brc1ccc2c(c1)C1(c3ccccc3Sc3ccccc31)C1C=Cc3ccccc3C21.
What is the InChIKey of 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]?
The InChIKey is WAKZCWDKVBLZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrS/c30-19-14-15-21-25(17-19)29(24-16-13-18-7-1-2-8-20(18)28(21)24)22-9-3-5-11-26(22)31-27-12-6-4-10-23(27)29/h1-17,24,28H.
What are the key properties of 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]?
9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene] has a molecular weight of 479.44 g/mol, XLogP of 8.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene] is sourced from PubChem (CID 155036568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).