6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline

C32H29NS — CID 167354676

IUPAC6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline
SMILESCC(C)c1ccc2sc3c4ccccc4nc(-c4cc(C(C)(C)C)c5ccccc5c4)c3c2c1
InChIInChI=1S/C32H29NS/c1-19(2)20-14-15-28-25(17-20)29-30(33-27-13-9-8-12-24(27)31(29)34-28)22-16-21-10-6-7-11-23(21)26(18-22)32(3,4)5/h6-19H,1-5H3
InChIKeyWJVAXEMJWWDOIY-UHFFFAOYSA-N
MW459.66 g/mol
LogP9.84
Rot. Bonds2

About 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline

6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline (PubChem CID 167354676) has the molecular formula C32H29NS and a molecular weight of 459.66 g/mol. Its IUPAC name is 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline
PubChem CID167354676
Molecular FormulaC32H29NS
Molecular Weight459.66 g/mol
Exact Mass459.20
IUPAC Name6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline
SMILESCC(C)c1ccc2sc3c4ccccc4nc(-c4cc(C(C)(C)C)c5ccccc5c4)c3c2c1
InChIInChI=1S/C32H29NS/c1-19(2)20-14-15-28-25(17-20)29-30(33-27-13-9-8-12-24(27)31(29)34-28)22-16-21-10-6-7-11-23(21)26(18-22)32(3,4)5/h6-19H,1-5H3
InChIKeyWJVAXEMJWWDOIY-UHFFFAOYSA-N
XLogP9.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.66
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-tert-butylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]quinoline
CID 167354335
4-(4-tert-butylnaphthalen-2-yl)-6-propan-2-ylthieno[3,2-d]pyrimidine
CID 153428560
12-(4-tert-butylnaphthalen-2-yl)-14-methyl-5-propan-2-yl-17-oxa-13,15-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11,13,15-octaene
CID 168815916
4-(4-tert-butylnaphthalen-2-yl)-2,3-dimethylfuro[3,2-c]quinoline
CID 166570041
6-(3,5-dibromophenyl)-[1]benzothiolo[3,2-c]quinoline
CID 129086165
8-(2-phenanthren-2-yl-6-phenylpyrimidin-4-yl)-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 163987867
2-[2-(4-tert-butylnaphthalen-2-yl)-4-pyridinyl]-1,3-benzothiazole
CID 156665312
8-propan-2-ylnaphtho[1,2-b][1]benzothiole
CID 158779749
6-(4-tert-butylnaphthalen-2-yl)-11,11-dimethyl-[1]benzosilolo[3,2-c]quinoline
CID 167354672
8-(2-phenanthren-9-yl-6-phenylpyrimidin-4-yl)-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 155018604
2-(4-tert-butylnaphthalen-2-yl)-4,5-dimethylquinoline
CID 134387972
6-[3-[4-(4-phenanthren-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 161054592

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline (CID 167354676) is 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline is CC(C)c1ccc2sc3c4ccccc4nc(-c4cc(C(C)(C)C)c5ccccc5c4)c3c2c1.
What is the InChIKey of 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is WJVAXEMJWWDOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NS/c1-19(2)20-14-15-28-25(17-20)29-30(33-27-13-9-8-12-24(27)31(29)34-28)22-16-21-10-6-7-11-23(21)26(18-22)32(3,4)5/h6-19H,1-5H3.
What are the key properties of 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline?
6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 459.66 g/mol, XLogP of 9.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylnaphthalen-2-yl)-8-propan-2-yl-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 167354676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).