spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]

C34H19NS — CID 146737590

IUPACspiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]
SMILESc1ccc2c(c1)Sc1cc3c(c4cccc-2c14)C1(c2ccccc2-c2ccccc21)c1ncccc1-3
InChIInChI=1S/C34H19NS/c1-4-15-27-20(9-1)21-10-2-5-16-28(21)34(27)32-25-13-7-12-23-22-11-3-6-17-29(22)36-30(31(23)25)19-26(32)24-14-8-18-35-33(24)34/h1-19H
InChIKeyRJSPPQHPMAMIGI-UHFFFAOYSA-N
MW473.60 g/mol
LogP8.71
Rot. Bonds

About spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]

spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene] (PubChem CID 146737590) has the molecular formula C34H19NS and a molecular weight of 473.60 g/mol. Its IUPAC name is spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene].

Molecular Properties

Compound Namespiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]
PubChem CID146737590
Molecular FormulaC34H19NS
Molecular Weight473.60 g/mol
Exact Mass473.12
IUPAC Namespiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]
SMILESc1ccc2c(c1)Sc1cc3c(c4cccc-2c14)C1(c2ccccc2-c2ccccc21)c1ncccc1-3
InChIInChI=1S/C34H19NS/c1-4-15-27-20(9-1)21-10-2-5-16-28(21)34(27)32-25-13-7-12-23-22-11-3-6-17-29(22)36-30(31(23)25)19-26(32)24-14-8-18-35-33(24)34/h1-19H
InChIKeyRJSPPQHPMAMIGI-UHFFFAOYSA-N
XLogP8.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene] with MolForge

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Related Compounds

spiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 129265256
12-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126941
12-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170022042
12-(2-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030895
12-(9,9-dimethylfluoren-2-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170016222
10-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170022611
4-bromospiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 141481966
12-(9,9-diphenylfluoren-4-yl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170016170
12-[4-(11-phenylbenzo[a]fluoren-11-yl)phenyl]-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170022455
12-(3-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170030715
12-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-2-yl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 170036855
2-quinolin-4-ylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
CID 163458201

Frequently Asked Questions

What is the IUPAC name of spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]?
The IUPAC name of spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene] (CID 146737590) is spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene].
What is the SMILES notation for spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]?
The canonical SMILES for spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene] is c1ccc2c(c1)Sc1cc3c(c4cccc-2c14)C1(c2ccccc2-c2ccccc21)c1ncccc1-3.
What is the InChIKey of spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]?
The InChIKey is RJSPPQHPMAMIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19NS/c1-4-15-27-20(9-1)21-10-2-5-16-28(21)34(27)32-25-13-7-12-23-22-11-3-6-17-29(22)36-30(31(23)25)19-26(32)24-14-8-18-35-33(24)34/h1-19H.
What are the key properties of spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene]?
spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene] has a molecular weight of 473.60 g/mol, XLogP of 8.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[2-thia-17-azahexacyclo[11.10.1.03,8.09,24.014,22.016,21]tetracosa-1(24),3,5,7,9,11,13,16(21),17,19,22-undecaene-15,9'-fluorene] is sourced from PubChem (CID 146737590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).