spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]

C26H16N2S — CID 164764914

IUPACspiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]
SMILESc1ccc2c(c1)Sc1nc3ccccc3n1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H16N2S/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)26(19)21-13-5-8-16-24(21)29-25-27-22-14-6-7-15-23(22)28(25)26/h1-16H
InChIKeyMGXOBMPOHYZAQF-UHFFFAOYSA-N
MW388.50 g/mol
LogP6.32
Rot. Bonds

About spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]

spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene] (PubChem CID 164764914) has the molecular formula C26H16N2S and a molecular weight of 388.50 g/mol. Its IUPAC name is spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene].

Molecular Properties

Compound Namespiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]
PubChem CID164764914
Molecular FormulaC26H16N2S
Molecular Weight388.50 g/mol
Exact Mass388.10
IUPAC Namespiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]
SMILESc1ccc2c(c1)Sc1nc3ccccc3n1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C26H16N2S/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)26(19)21-13-5-8-16-24(21)29-25-27-22-14-6-7-15-23(22)28(25)26/h1-16H
InChIKeyMGXOBMPOHYZAQF-UHFFFAOYSA-N
XLogP6.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]
CID 164764884
17,17,18-trimethyl-9,16-diazaheptacyclo[16.10.1.02,7.08,16.010,15.019,24.025,29]nonacosa-1(29),2,4,6,8,10,12,14,19,21,23,25,27-tridecaene
CID 164734267
CID 101264083
CID 101264083
3-bromo-4,4-dimethyl-2,3-dihydro-[1,3]thiazino[3,2-a]benzimidazole
CID 3581291
11-phenyl-11-quinolin-6-ylisoindolo[2,1-a]benzimidazole
CID 163769246
2-[4-(2-phenylbenzimidazol-1-yl)phenyl]spiro[fluorene-9,9'-thioxanthene]-3-amine
CID 155157300
4-[3-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-4'-yl)phenyl]-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 166996084
15-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-8-thia-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297667
1H-[1,3]thiazolo[3,2-a]benzimidazol-2-one
CID 156583377
5-phenylspiro[indeno[2,1-b]carbazole-7,9'-thioxanthene]
CID 118880676
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[3-[9,9-bis(trideuteriomethyl)thioxanthen-4-yl]-4-(trideuteriomethyl)phenyl]-phenyl-(trideuteriomethyl)silane
CID 168793247
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310

Frequently Asked Questions

What is the IUPAC name of spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]?
The IUPAC name of spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene] (CID 164764914) is spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene].
What is the SMILES notation for spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]?
The canonical SMILES for spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene] is c1ccc2c(c1)Sc1nc3ccccc3n1C21c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]?
The InChIKey is MGXOBMPOHYZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2S/c1-3-11-19-17(9-1)18-10-2-4-12-20(18)26(19)21-13-5-8-16-24(21)29-25-27-22-14-6-7-15-23(22)28(25)26/h1-16H.
What are the key properties of spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene]?
spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene] has a molecular weight of 388.50 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[benzimidazolo[2,1-b][1,3]benzothiazine-12,9'-fluorene] is sourced from PubChem (CID 164764914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).