5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine

C31H25NS — CID 166577945

IUPAC5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
SMILESCc1cnc(-c2cccc3c2sc2cc(-c4cccc5ccccc45)ccc23)cc1C(C)C
InChIInChI=1S/C31H25NS/c1-19(2)28-17-29(32-18-20(28)3)27-13-7-12-26-25-15-14-22(16-30(25)33-31(26)27)24-11-6-9-21-8-4-5-10-23(21)24/h4-19H,1-3H3
InChIKeyZOBQTTBQBFYRDD-UHFFFAOYSA-N
MW443.62 g/mol
LogP9.37
Rot. Bonds3

About 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine

5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine (PubChem CID 166577945) has the molecular formula C31H25NS and a molecular weight of 443.62 g/mol. Its IUPAC name is 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine.

Molecular Properties

Compound Name5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
PubChem CID166577945
Molecular FormulaC31H25NS
Molecular Weight443.62 g/mol
Exact Mass443.17
IUPAC Name5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
SMILESCc1cnc(-c2cccc3c2sc2cc(-c4cccc5ccccc45)ccc23)cc1C(C)C
InChIInChI=1S/C31H25NS/c1-19(2)28-17-29(32-18-20(28)3)27-13-7-12-26-25-15-14-22(16-30(25)33-31(26)27)24-11-6-9-21-8-4-5-10-23(21)24/h4-19H,1-3H3
InChIKeyZOBQTTBQBFYRDD-UHFFFAOYSA-N
XLogP9.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.62
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[7-(3-phenylphenyl)dibenzothiophen-4-yl]isoquinoline
CID 166577401
4-(2-deuteriopropan-2-yl)-2-[7-(4-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165171093
4-(2-deuteriopropan-2-yl)-2-[7-(3-methylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170640
3-(7-methyldibenzothiophen-4-yl)-[1]benzothiolo[2,3-c]pyridine
CID 162500388
trimethyl-[4-[6-(4-propan-2-yl-2-pyridinyl)dibenzothiophen-3-yl]phenyl]germane
CID 164832502
2-dibenzothiophen-4-yl-4-(6-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 176587486
iridium;5-methyl-2-[7-(4-methylphenyl)-3H-dibenzothiophen-3-id-4-yl]-4-propan-2-ylpyridine;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578309
2-dibenzothiophen-4-yl-4-methyl-5-(3-methyltriphenylen-2-yl)pyridine
CID 121463376
2-[7-(4-fluorophenyl)dibenzothiophen-4-yl]pyridine
CID 166574663
4-[1-deuterio-1-(4-fluorophenyl)ethyl]-2-[7-(2,6-dimethylphenyl)dibenzothiophen-4-yl]pyridine
CID 165170725
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
4-(2-deuteriopropan-2-yl)-5-fluoro-2-(5-fluoronaphtho[2,1-b][1]benzothiol-8-yl)pyridine
CID 165170613

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine?
The IUPAC name of 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine (CID 166577945) is 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine.
What is the SMILES notation for 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine?
The canonical SMILES for 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine is Cc1cnc(-c2cccc3c2sc2cc(-c4cccc5ccccc45)ccc23)cc1C(C)C.
What is the InChIKey of 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine?
The InChIKey is ZOBQTTBQBFYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25NS/c1-19(2)28-17-29(32-18-20(28)3)27-13-7-12-26-25-15-14-22(16-30(25)33-31(26)27)24-11-6-9-21-8-4-5-10-23(21)24/h4-19H,1-3H3.
What are the key properties of 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine?
5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine has a molecular weight of 443.62 g/mol, XLogP of 9.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine is sourced from PubChem (CID 166577945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).