4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine

C33H25NS — CID 146495369

IUPAC4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C33H25NS/c1-32(2)24-9-3-4-10-25(24)33(26-16-15-23(21-29(26)32)22-17-19-34-20-18-22)27-11-5-7-13-30(27)35-31-14-8-6-12-28(31)33/h3-21H,1-2H3
InChIKeyIJCGEIRFCBNAFZ-UHFFFAOYSA-N
MW467.64 g/mol
LogP8.24
Rot. Bonds1

About 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine

4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine (PubChem CID 146495369) has the molecular formula C33H25NS and a molecular weight of 467.64 g/mol. Its IUPAC name is 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine.

Molecular Properties

Compound Name4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine
PubChem CID146495369
Molecular FormulaC33H25NS
Molecular Weight467.64 g/mol
Exact Mass467.17
IUPAC Name4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine
SMILESCC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C33H25NS/c1-32(2)24-9-3-4-10-25(24)33(26-16-15-23(21-29(26)32)22-17-19-34-20-18-22)27-11-5-7-13-30(27)35-31-14-8-6-12-28(31)33/h3-21H,1-2H3
InChIKeyIJCGEIRFCBNAFZ-UHFFFAOYSA-N
XLogP8.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.64
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)pyridine
CID 146495231
2-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146494909
2'-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-9,9-dimethylspiro[anthracene-10,9'-thioxanthene]
CID 166995957
2-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-3'-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 166995817
2-[4-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]-1,10-phenanthroline
CID 146495608
4-[4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-3'-yl)phenyl]-2-phenyl-6-pyridin-2-ylpyrimidine
CID 166995592
2,6-diphenyl-9,9'-spirobi[thioxanthene]
CID 118698152
2-[3-(10,10-dimethylspiro[anthracene-9,9'-thioxanthene]-2-yl)phenyl]quinoxaline
CID 146495575
3-[3-(6-phenyl-9,9'-spirobi[thioxanthene]-3-yl)phenyl]pyridine
CID 118698507
10-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)phenothiazine
CID 146495406
4-(6-pyridin-2-yl-9,9'-spirobi[thioxanthene]-3-yl)pyrimidine
CID 118698668
3,3',6,6'-tetraphenyl-9,9'-spirobi[thioxanthene]
CID 118698488

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine?
The IUPAC name of 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine (CID 146495369) is 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine.
What is the SMILES notation for 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine?
The canonical SMILES for 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine is CC1(C)c2ccccc2C2(c3ccccc3Sc3ccccc32)c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine?
The InChIKey is IJCGEIRFCBNAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25NS/c1-32(2)24-9-3-4-10-25(24)33(26-16-15-23(21-29(26)32)22-17-19-34-20-18-22)27-11-5-7-13-30(27)35-31-14-8-6-12-28(31)33/h3-21H,1-2H3.
What are the key properties of 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine?
4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine has a molecular weight of 467.64 g/mol, XLogP of 8.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylspiro[anthracene-10,9'-thioxanthene]-2-yl)pyridine is sourced from PubChem (CID 146495369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).