2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline

C27H19NS — CID 45112233

IUPAC2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESc1ccc(-c2c3c(nc4ccccc24)CC(c2cccc4ccccc24)S3)cc1
InChIInChI=1S/C27H19NS/c1-2-10-19(11-3-1)26-22-14-6-7-16-23(22)28-24-17-25(29-27(24)26)21-15-8-12-18-9-4-5-13-20(18)21/h1-16,25H,17H2
InChIKeyBZESULXEBONEMN-UHFFFAOYSA-N
MW389.52 g/mol
LogP7.44
Rot. Bonds2

About 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline

2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline (PubChem CID 45112233) has the molecular formula C27H19NS and a molecular weight of 389.52 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline.

Molecular Properties

Compound Name2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
PubChem CID45112233
Molecular FormulaC27H19NS
Molecular Weight389.52 g/mol
Exact Mass389.12
IUPAC Name2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESc1ccc(-c2c3c(nc4ccccc24)CC(c2cccc4ccccc24)S3)cc1
InChIInChI=1S/C27H19NS/c1-2-10-19(11-3-1)26-22-14-6-7-16-23(22)28-24-17-25(29-27(24)26)21-15-8-12-18-9-4-5-13-20(18)21/h1-16,25H,17H2
InChIKeyBZESULXEBONEMN-UHFFFAOYSA-N
XLogP7.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.52
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The IUPAC name of 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline (CID 45112233) is 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline.
What is the SMILES notation for 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The canonical SMILES for 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline is c1ccc(-c2c3c(nc4ccccc24)CC(c2cccc4ccccc24)S3)cc1.
What is the InChIKey of 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The InChIKey is BZESULXEBONEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NS/c1-2-10-19(11-3-1)26-22-14-6-7-16-23(22)28-24-17-25(29-27(24)26)21-15-8-12-18-9-4-5-13-20(18)21/h1-16,25H,17H2.
What are the key properties of 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline has a molecular weight of 389.52 g/mol, XLogP of 7.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline is sourced from PubChem (CID 45112233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).