4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline

C27H25NS — CID 176651591

IUPAC4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
SMILESCC(C)c1cc(-c2cccc3c2sc2c(C(C)C)cccc23)nc2ccccc12
InChIInChI=1S/C27H25NS/c1-16(2)18-10-7-11-20-21-12-8-13-22(27(21)29-26(18)20)25-15-23(17(3)4)19-9-5-6-14-24(19)28-25/h5-17H,1-4H3
InChIKeySVUFJJKDLGBPJR-UHFFFAOYSA-N
MW395.57 g/mol
LogP8.52
Rot. Bonds3

About 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline

4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline (PubChem CID 176651591) has the molecular formula C27H25NS and a molecular weight of 395.57 g/mol. Its IUPAC name is 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline.

Molecular Properties

Compound Name4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
PubChem CID176651591
Molecular FormulaC27H25NS
Molecular Weight395.57 g/mol
Exact Mass395.17
IUPAC Name4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
SMILESCC(C)c1cc(-c2cccc3c2sc2c(C(C)C)cccc23)nc2ccccc12
InChIInChI=1S/C27H25NS/c1-16(2)18-10-7-11-20-21-12-8-13-22(27(21)29-26(18)20)25-15-23(17(3)4)19-9-5-6-14-24(19)28-25/h5-17H,1-4H3
InChIKeySVUFJJKDLGBPJR-UHFFFAOYSA-N
XLogP8.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.57
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(10,10-dimethyl-4b,9b-dihydroindeno[1,2-b][1]benzothiol-1-yl)-4-propan-2-ylquinoline
CID 168815128
(Z)-5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium;6-propan-2-yl-4-(4-propan-2-ylquinolin-2-yl)-3H-[1]benzothiolo[3,2-b]pyridin-3-ide
CID 176651613
4-(9H-fluoren-3-yl)-6-propan-2-yldibenzothiophene
CID 159708526
2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
CID 171419628
2-bromo-4-propan-2-ylquinoline
CID 146082408
2-ethyl-4-propan-2-ylquinoline
CID 144871804
ethane;7-propan-2-yl-1,3-benzothiazol-2-amine
CID 167552566
N,N-di(phenanthren-9-yl)-6-propan-2-yldibenzothiophen-4-amine
CID 129118397
4-(2-deuteriopropan-2-yl)-2-[4-(2-deuteriopropan-2-yl)naphtho[1,2-b][1]benzothiol-10-yl]pyridine
CID 165170907
5-methyl-2-(7-naphthalen-1-yldibenzothiophen-4-yl)-4-propan-2-ylpyridine
CID 166577945
2-(2-methylpropyl)-4-propan-2-ylquinoline
CID 175426775
2-(2-chloro-5-fluoropyrimidin-4-yl)-4-propan-2-ylquinoline
CID 170319291

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline?
The IUPAC name of 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline (CID 176651591) is 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline.
What is the SMILES notation for 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline?
The canonical SMILES for 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline is CC(C)c1cc(-c2cccc3c2sc2c(C(C)C)cccc23)nc2ccccc12.
What is the InChIKey of 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline?
The InChIKey is SVUFJJKDLGBPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NS/c1-16(2)18-10-7-11-20-21-12-8-13-22(27(21)29-26(18)20)25-15-23(17(3)4)19-9-5-6-14-24(19)28-25/h5-17H,1-4H3.
What are the key properties of 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline?
4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline has a molecular weight of 395.57 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline is sourced from PubChem (CID 176651591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).