2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine

C53H45NOS — CID 118081449

IUPAC2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine
SMILESCC1(C)c2cccc(-c3ccnc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)C5(C)C)c3)c2Oc2c1ccc1c2-c2ccccc2C1(C)C
InChIInChI=1S/C53H45NOS/c1-50(2)35-19-11-9-15-32(35)44-37(50)23-25-40-47(44)55-46-31(17-13-21-39(46)52(40,5)6)30-27-28-54-43(29-30)34-18-14-22-41-48(34)56-49-42(53(41,7)8)26-24-38-45(49)33-16-10-12-20-36(33)51(38,3)4/h9-29H,1-8H3
InChIKeyRBUZUCUCIMMVKK-UHFFFAOYSA-N
MW744.02 g/mol
LogP14.25
Rot. Bonds2

About 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine

2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine (PubChem CID 118081449) has the molecular formula C53H45NOS and a molecular weight of 744.02 g/mol. Its IUPAC name is 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine.

Molecular Properties

Compound Name2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine
PubChem CID118081449
Molecular FormulaC53H45NOS
Molecular Weight744.02 g/mol
Exact Mass743.32
IUPAC Name2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine
SMILESCC1(C)c2cccc(-c3ccnc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)C5(C)C)c3)c2Oc2c1ccc1c2-c2ccccc2C1(C)C
InChIInChI=1S/C53H45NOS/c1-50(2)35-19-11-9-15-32(35)44-37(50)23-25-40-47(44)55-46-31(17-13-21-39(46)52(40,5)6)30-27-28-54-43(29-30)34-18-14-22-41-48(34)56-49-42(53(41,7)8)26-24-38-45(49)33-16-10-12-20-36(33)51(38,3)4/h9-29H,1-8H3
InChIKeyRBUZUCUCIMMVKK-UHFFFAOYSA-N
XLogP14.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.02
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine with MolForge

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Related Compounds

5,5,8,8-tetramethyl-1-[10-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)anthracen-9-yl]indeno[2,1-c]xanthene
CID 118081432
2-(8-methyl-8-phenylindeno[1,2-a]thianthren-1-yl)-4-(5,5,8-trimethyl-8-phenylindeno[2,1-c]xanthen-1-yl)pyrimidine
CID 118081454
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-phenyl-4-(3-phenylphenyl)pyridine
CID 138575977
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4,6-diphenylpyridine
CID 138575674
5,5,8,8-tetramethyl-N-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-10-yl)-N-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-10-yl)indeno[2,1-c]xanthen-10-amine
CID 118081312
1-(8,8-diphenylindeno[2,1-c]phenoxathiin-10-yl)-8,8-dimethylindeno[2,1-c]phenoxathiine
CID 118081393
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-4-phenyl-6-pyridin-2-yl-1,3,5-triazine
CID 138575450
1-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)-8,8-diphenylindeno[1,2-a]oxanthrene
CID 118081394
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-pyridin-2-ylphenyl]pyridine
CID 58881166
2-[2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)phenyl]-6-methyl-4-phenylpyridine
CID 138576058
2-(8,8-dimethylindeno[1,2-a]oxanthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyridine;4-(8,8-dimethylindeno[1,2-a]thianthren-1-yl)-6-(8,8-dimethylindeno[1,2-a]thianthren-10-yl)pyrimidine;2-(8,8-dimethylindeno[2,1-c]phenoxathiin-1-yl)-4-(8,8-dimethylindeno[2,1-c]phenoxathiin-10-yl)-1,3,5-triazine
CID 162133365
2-[2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]pyridine
CID 58881047

Frequently Asked Questions

What is the IUPAC name of 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine?
The IUPAC name of 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine (CID 118081449) is 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine.
What is the SMILES notation for 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine?
The canonical SMILES for 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine is CC1(C)c2cccc(-c3ccnc(-c4cccc5c4Sc4c(ccc6c4-c4ccccc4C6(C)C)C5(C)C)c3)c2Oc2c1ccc1c2-c2ccccc2C1(C)C.
What is the InChIKey of 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine?
The InChIKey is RBUZUCUCIMMVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45NOS/c1-50(2)35-19-11-9-15-32(35)44-37(50)23-25-40-47(44)55-46-31(17-13-21-39(46)52(40,5)6)30-27-28-54-43(29-30)34-18-14-22-41-48(34)56-49-42(53(41,7)8)26-24-38-45(49)33-16-10-12-20-36(33)51(38,3)4/h9-29H,1-8H3.
What are the key properties of 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine?
2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine has a molecular weight of 744.02 g/mol, XLogP of 14.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5,8,8-tetramethylindeno[2,1-c]thioxanthen-1-yl)-4-(5,5,8,8-tetramethylindeno[2,1-c]xanthen-1-yl)pyridine is sourced from PubChem (CID 118081449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).