2,5-dinaphthalen-2-yl-1,4-dithiine

C24H16S2 — CID 4615043

IUPAC2,5-dinaphthalen-2-yl-1,4-dithiine
SMILESC1=C(c2ccc3ccccc3c2)SC=C(c2ccc3ccccc3c2)S1
InChIInChI=1S/C24H16S2/c1-3-7-19-13-21(11-9-17(19)5-1)23-15-26-24(16-25-23)22-12-10-18-6-2-4-8-20(18)14-22/h1-16H
InChIKeyGXNNRJWBMYKLMX-UHFFFAOYSA-N
MW368.53 g/mol
LogP7.77
Rot. Bonds2

About 2,5-dinaphthalen-2-yl-1,4-dithiine

2,5-dinaphthalen-2-yl-1,4-dithiine (PubChem CID 4615043) has the molecular formula C24H16S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2,5-dinaphthalen-2-yl-1,4-dithiine.

Molecular Properties

Compound Name2,5-dinaphthalen-2-yl-1,4-dithiine
PubChem CID4615043
Molecular FormulaC24H16S2
Molecular Weight368.53 g/mol
Exact Mass368.07
IUPAC Name2,5-dinaphthalen-2-yl-1,4-dithiine
SMILESC1=C(c2ccc3ccccc3c2)SC=C(c2ccc3ccccc3c2)S1
InChIInChI=1S/C24H16S2/c1-3-7-19-13-21(11-9-17(19)5-1)23-15-26-24(16-25-23)22-12-10-18-6-2-4-8-20(18)14-22/h1-16H
InChIKeyGXNNRJWBMYKLMX-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,5-dinaphthalen-2-yl-1,4-dithiine?
The IUPAC name of 2,5-dinaphthalen-2-yl-1,4-dithiine (CID 4615043) is 2,5-dinaphthalen-2-yl-1,4-dithiine.
What is the SMILES notation for 2,5-dinaphthalen-2-yl-1,4-dithiine?
The canonical SMILES for 2,5-dinaphthalen-2-yl-1,4-dithiine is C1=C(c2ccc3ccccc3c2)SC=C(c2ccc3ccccc3c2)S1.
What is the InChIKey of 2,5-dinaphthalen-2-yl-1,4-dithiine?
The InChIKey is GXNNRJWBMYKLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S2/c1-3-7-19-13-21(11-9-17(19)5-1)23-15-26-24(16-25-23)22-12-10-18-6-2-4-8-20(18)14-22/h1-16H.
What are the key properties of 2,5-dinaphthalen-2-yl-1,4-dithiine?
2,5-dinaphthalen-2-yl-1,4-dithiine has a molecular weight of 368.53 g/mol, XLogP of 7.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinaphthalen-2-yl-1,4-dithiine is sourced from PubChem (CID 4615043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).