2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine

C27H23NS — CID 166578354

IUPAC2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
SMILESCc1ccc(-c2ccc3sc4ccc(-c5cc(C(C)C)ccn5)cc4c3c2)cc1
InChIInChI=1S/C27H23NS/c1-17(2)20-12-13-28-25(16-20)22-9-11-27-24(15-22)23-14-21(8-10-26(23)29-27)19-6-4-18(3)5-7-19/h4-17H,1-3H3
InChIKeyLKVQLWGZSQWIGA-UHFFFAOYSA-N
MW393.56 g/mol
LogP8.22
Rot. Bonds3

About 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine

2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine (PubChem CID 166578354) has the molecular formula C27H23NS and a molecular weight of 393.56 g/mol. Its IUPAC name is 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
PubChem CID166578354
Molecular FormulaC27H23NS
Molecular Weight393.56 g/mol
Exact Mass393.16
IUPAC Name2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine
SMILESCc1ccc(-c2ccc3sc4ccc(-c5cc(C(C)C)ccn5)cc4c3c2)cc1
InChIInChI=1S/C27H23NS/c1-17(2)20-12-13-28-25(16-20)22-9-11-27-24(15-22)23-14-21(8-10-26(23)29-27)19-6-4-18(3)5-7-19/h4-17H,1-3H3
InChIKeyLKVQLWGZSQWIGA-UHFFFAOYSA-N
XLogP8.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.56
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-[8-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-2-yl]germane
CID 164832484
4-(2-deuteriopropan-2-yl)-2-dibenzothiophen-2-ylpyridine
CID 162708702
4-pentan-3-yl-2-(8-phenyldibenzothiophen-2-yl)pyridine
CID 166574588
2-[7-(4-fluorophenyl)dibenzothiophen-2-yl]-4-(3-methylbutan-2-yl)pyridine
CID 166577015
2-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-4-propan-2-ylpyridine
CID 166574431
4-(2,2-dimethylpropyl)-2-[7-(4-methylphenyl)dibenzothiophen-2-yl]pyridine
CID 169038578
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
4-phenyl-2-(7-phenyldibenzothiophen-2-yl)pyridine
CID 166574154
2-(9-phenyldibenzothiophen-3-yl)-4-propan-2-ylpyridine
CID 166576650
4-(2-deuteriopropan-2-yl)-2-(8-methyldibenzofuran-2-yl)pyridine
CID 163739130
2-(9-methyl-10-phenylphenanthren-2-yl)-4-propan-2-ylpyridine
CID 164792300
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine?
The IUPAC name of 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine (CID 166578354) is 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine.
What is the SMILES notation for 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine?
The canonical SMILES for 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine is Cc1ccc(-c2ccc3sc4ccc(-c5cc(C(C)C)ccn5)cc4c3c2)cc1.
What is the InChIKey of 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine?
The InChIKey is LKVQLWGZSQWIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NS/c1-17(2)20-12-13-28-25(16-20)22-9-11-27-24(15-22)23-14-21(8-10-26(23)29-27)19-6-4-18(3)5-7-19/h4-17H,1-3H3.
What are the key properties of 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine?
2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine has a molecular weight of 393.56 g/mol, XLogP of 8.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-methylphenyl)dibenzothiophen-2-yl]-4-propan-2-ylpyridine is sourced from PubChem (CID 166578354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).