2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]

C30H21BrS — CID 166825938

IUPAC2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]
SMILESCC12C=Cc3ccccc3C1c1ccccc1C21c2ccccc2Sc2ccc(Br)cc21
InChIInChI=1S/C30H21BrS/c1-29-17-16-19-8-2-3-9-21(19)28(29)22-10-4-5-11-23(22)30(29)24-12-6-7-13-26(24)32-27-15-14-20(31)18-25(27)30/h2-18,28H,1H3
InChIKeyJRDIRAYUORELKE-UHFFFAOYSA-N
MW493.47 g/mol
LogP8.43
Rot. Bonds

About 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]

2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene] (PubChem CID 166825938) has the molecular formula C30H21BrS and a molecular weight of 493.47 g/mol. Its IUPAC name is 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene].

Molecular Properties

Compound Name2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]
PubChem CID166825938
Molecular FormulaC30H21BrS
Molecular Weight493.47 g/mol
Exact Mass492.05
IUPAC Name2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]
SMILESCC12C=Cc3ccccc3C1c1ccccc1C21c2ccccc2Sc2ccc(Br)cc21
InChIInChI=1S/C30H21BrS/c1-29-17-16-19-8-2-3-9-21(19)28(29)22-10-4-5-11-23(22)30(29)24-12-6-7-13-26(24)32-27-15-14-20(31)18-25(27)30/h2-18,28H,1H3
InChIKeyJRDIRAYUORELKE-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.47
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene] with MolForge

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Related Compounds

9-bromospiro[6a,11b-dihydrobenzo[c]fluorene-7,9'-thioxanthene]
CID 155036568
2-(3-bromophenyl)-9,9-dimethylthioxanthene
CID 166679111
2-bromo-7-tert-butylspiro[fluorene-9,9'-thioxanthene]
CID 170180910
3-[4-[4-(4-bromophenyl)phenyl]phenyl]benzo[b][1]benzothiepine
CID 139535339
CID 101264083
CID 101264083
2-chloro-9,9-dimethylthioxanthene
CID 172804751
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
4-(7-bromo-9,9-dimethylfluoren-2-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 118532837
(2R,4R)-2-(4-bromophenyl)-4-methyl-2,3-dihydrothiochromen-4-ol
CID 177412083
(10Z)-7-bromotricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,10,12,14-heptaen-2-ol
CID 102268825
2-bromo-7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 58939597
4-(1,2-dihydronaphthalen-1-yl)-2-[4-(9,9-dimethylthioxanthen-2-yl)phenyl]quinazoline
CID 166908750

Frequently Asked Questions

What is the IUPAC name of 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]?
The IUPAC name of 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene] (CID 166825938) is 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene].
What is the SMILES notation for 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]?
The canonical SMILES for 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene] is CC12C=Cc3ccccc3C1c1ccccc1C21c2ccccc2Sc2ccc(Br)cc21.
What is the InChIKey of 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]?
The InChIKey is JRDIRAYUORELKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21BrS/c1-29-17-16-19-8-2-3-9-21(19)28(29)22-10-4-5-11-23(22)30(29)24-12-6-7-13-26(24)32-27-15-14-20(31)18-25(27)30/h2-18,28H,1H3.
What are the key properties of 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene]?
2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene] has a molecular weight of 493.47 g/mol, XLogP of 8.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-bromo-6a-methylspiro[11bH-benzo[c]fluorene-7,9'-thioxanthene] is sourced from PubChem (CID 166825938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).