2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine

C26H19NS — CID 59747125

IUPAC2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc4c3sc3ccccc34)ccc21
InChIInChI=1S/C26H19NS/c1-26(2)20-12-5-3-9-18(20)24-21(26)14-15-22(27-24)19-11-7-10-17-16-8-4-6-13-23(16)28-25(17)19/h3-15H,1-2H3
InChIKeyFOUVQFRDVHXCQF-UHFFFAOYSA-N
MW377.51 g/mol
LogP7.42
Rot. Bonds1

About 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine

2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine (PubChem CID 59747125) has the molecular formula C26H19NS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
PubChem CID59747125
Molecular FormulaC26H19NS
Molecular Weight377.51 g/mol
Exact Mass377.12
IUPAC Name2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine
SMILESCC1(C)c2ccccc2-c2nc(-c3cccc4c3sc3ccccc34)ccc21
InChIInChI=1S/C26H19NS/c1-26(2)20-12-5-3-9-18(20)24-21(26)14-15-22(27-24)19-11-7-10-17-16-8-4-6-13-23(16)28-25(17)19/h3-15H,1-2H3
InChIKeyFOUVQFRDVHXCQF-UHFFFAOYSA-N
XLogP7.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-2-[2,4,5-tris(5,5-dimethylindeno[1,2-b]pyridin-2-yl)phenyl]indeno[1,2-b]pyridine
CID 59747186
4-(7-dibenzothiophen-4-yl-9,9-dimethylfluoren-2-yl)dibenzothiophene
CID 59758491
4-dibenzothiophen-4-yl-6-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776821
2-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)-5,5-dimethylindeno[1,2-b]pyridine
CID 167269648
4-dibenzothiophen-4-yl-2-(9,9-dimethylfluoren-2-yl)-6-(2-naphthalen-1-ylphenyl)pyrimidine
CID 167349053
2-dibenzothiophen-2-yl-4-dibenzothiophen-4-yl-6-(9,9-dimethylfluoren-4-yl)pyrimidine
CID 167349473
4-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]dibenzothiophene
CID 121287741
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118100295
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584152
5,5-dimethyl-2-(6-pentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2,4,6,8,11,13(18),14,16-nonaenyl)indeno[1,2-b]pyridine
CID 59845146
4-(5,9,9-trimethylfluoren-2-yl)dibenzothiophene
CID 146397266
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]dibenzothiophene
CID 59196128

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine?
The IUPAC name of 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine (CID 59747125) is 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine?
The canonical SMILES for 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine is CC1(C)c2ccccc2-c2nc(-c3cccc4c3sc3ccccc34)ccc21.
What is the InChIKey of 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine?
The InChIKey is FOUVQFRDVHXCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NS/c1-26(2)20-12-5-3-9-18(20)24-21(26)14-15-22(27-24)19-11-7-10-17-16-8-4-6-13-23(16)28-25(17)19/h3-15H,1-2H3.
What are the key properties of 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine?
2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine has a molecular weight of 377.51 g/mol, XLogP of 7.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-5,5-dimethylindeno[1,2-b]pyridine is sourced from PubChem (CID 59747125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).