1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one

C33H26OS2 — CID 140987326

IUPAC1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one
SMILESO=C(CC(c1cccs1)c1cccc2ccccc12)CC(c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C33H26OS2/c34-25(21-30(32-17-7-19-35-32)28-15-5-11-23-9-1-3-13-26(23)28)22-31(33-18-8-20-36-33)29-16-6-12-24-10-2-4-14-27(24)29/h1-20,30-31H,21-22H2
InChIKeyGVSIYDWRMGGMGF-UHFFFAOYSA-N
MW502.70 g/mol
LogP9.43
Rot. Bonds8

About 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one

1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one (PubChem CID 140987326) has the molecular formula C33H26OS2 and a molecular weight of 502.70 g/mol. Its IUPAC name is 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one.

Molecular Properties

Compound Name1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one
PubChem CID140987326
Molecular FormulaC33H26OS2
Molecular Weight502.70 g/mol
Exact Mass502.14
IUPAC Name1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one
SMILESO=C(CC(c1cccs1)c1cccc2ccccc12)CC(c1cccs1)c1cccc2ccccc12
InChIInChI=1S/C33H26OS2/c34-25(21-30(32-17-7-19-35-32)28-15-5-11-23-9-1-3-13-26(23)28)22-31(33-18-8-20-36-33)29-16-6-12-24-10-2-4-14-27(24)29/h1-20,30-31H,21-22H2
InChIKeyGVSIYDWRMGGMGF-UHFFFAOYSA-N
XLogP9.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-naphthalen-1-yl-3-thiophen-2-ylpropan-1-amine
CID 69260983
N-[(1S)-1-naphthalen-1-ylethyl]-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 8866227
(4R)-4-(1H-indol-3-yl)-4-thiophen-2-ylbutan-2-one
CID 102274489
3-naphthalen-1-ylbutanoic acid
CID 43211329
N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]thiophene-2-carboxamide
CID 41453878
3,5-bis[naphthalen-1-yl(thiophen-2-yl)methyl]benzaldehyde
CID 141351109
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
1-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-thiophen-2-ylurea
CID 95367303
1-naphthalen-1-yl-4-thiophen-2-ylbutan-2-one
CID 105101445

Frequently Asked Questions

What is the IUPAC name of 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one?
The IUPAC name of 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one (CID 140987326) is 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one.
What is the SMILES notation for 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one?
The canonical SMILES for 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one is O=C(CC(c1cccs1)c1cccc2ccccc12)CC(c1cccs1)c1cccc2ccccc12.
What is the InChIKey of 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one?
The InChIKey is GVSIYDWRMGGMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26OS2/c34-25(21-30(32-17-7-19-35-32)28-15-5-11-23-9-1-3-13-26(23)28)22-31(33-18-8-20-36-33)29-16-6-12-24-10-2-4-14-27(24)29/h1-20,30-31H,21-22H2.
What are the key properties of 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one?
1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one has a molecular weight of 502.70 g/mol, XLogP of 9.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dinaphthalen-1-yl-1,5-dithiophen-2-ylpentan-3-one is sourced from PubChem (CID 140987326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).