8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline

C34H21NS — CID 153486712

IUPAC8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline
SMILESc1ccc2c(c1)Sc1c(-c3cccc4cccnc34)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C34H21NS/c1-3-16-27-23(12-1)24-13-2-4-17-28(24)34(27)29-18-5-6-20-31(29)36-33-26(15-8-19-30(33)34)25-14-7-10-22-11-9-21-35-32(22)25/h1-21H
InChIKeyGTDCVYZFUPBXOT-UHFFFAOYSA-N
MW475.62 g/mol
LogP8.73
Rot. Bonds1

About 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline

8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline (PubChem CID 153486712) has the molecular formula C34H21NS and a molecular weight of 475.62 g/mol. Its IUPAC name is 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline.

Molecular Properties

Compound Name8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline
PubChem CID153486712
Molecular FormulaC34H21NS
Molecular Weight475.62 g/mol
Exact Mass475.14
IUPAC Name8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline
SMILESc1ccc2c(c1)Sc1c(-c3cccc4cccnc34)cccc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C34H21NS/c1-3-16-27-23(12-1)24-13-2-4-17-28(24)34(27)29-18-5-6-20-31(29)36-33-26(15-8-19-30(33)34)25-14-7-10-22-11-9-21-35-32(22)25/h1-21H
InChIKeyGTDCVYZFUPBXOT-UHFFFAOYSA-N
XLogP8.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.62
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
CID 164793082
8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
CID 164793271
8-[4-[5'-(2,6-diphenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-4'-yl]phenyl]quinoline
CID 146547877
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-6-[2-[4-spiro[fluorene-9,9'-thioxanthene]-4'-yl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163703777
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 153049310
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)-1,3,5-triazine
CID 142469864
8-[7-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-thioxanthene]-2-yl]quinoline
CID 146547163
2-phenyl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-thioxanthene]-4'-yl-1,3,5-triazine
CID 146326974
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-thioxanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 167178251
8-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]quinoline
CID 167177391
8-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-yl]quinoline
CID 148814479
8-[6-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)spiro[fluorene-9,9'-thioxanthene]-3-yl]quinoline
CID 164793257

Frequently Asked Questions

What is the IUPAC name of 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline?
The IUPAC name of 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline (CID 153486712) is 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline.
What is the SMILES notation for 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline?
The canonical SMILES for 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline is c1ccc2c(c1)Sc1c(-c3cccc4cccnc34)cccc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline?
The InChIKey is GTDCVYZFUPBXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21NS/c1-3-16-27-23(12-1)24-13-2-4-17-28(24)34(27)29-18-5-6-20-31(29)36-33-26(15-8-19-30(33)34)25-14-7-10-22-11-9-21-35-32(22)25/h1-21H.
What are the key properties of 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline?
8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline has a molecular weight of 475.62 g/mol, XLogP of 8.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-spiro[fluorene-9,9'-thioxanthene]-4'-ylquinoline is sourced from PubChem (CID 153486712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).