5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole

C34H26N2S4 — CID 139194358

IUPAC5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole
SMILESC[C@H](c1cccc2ccccc12)n1cc2c(c1)SC(=C1Sc3cn([C@H](C)c4cccc5ccccc45)cc3S1)S2
InChIInChI=1S/C34H26N2S4/c1-21(25-15-7-11-23-9-3-5-13-27(23)25)35-17-29-30(18-35)38-33(37-29)34-39-31-19-36(20-32(31)40-34)22(2)26-16-8-12-24-10-4-6-14-28(24)26/h3-22H,1-2H3/t21-,22-/m1/s1
InChIKeyFOPKMZGSMXJIMB-FGZHOGPDSA-N
MW590.86 g/mol
LogP11.04
Rot. Bonds4

About 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole

5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole (PubChem CID 139194358) has the molecular formula C34H26N2S4 and a molecular weight of 590.86 g/mol. Its IUPAC name is 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole.

Molecular Properties

Compound Name5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole
PubChem CID139194358
Molecular FormulaC34H26N2S4
Molecular Weight590.86 g/mol
Exact Mass590.10
IUPAC Name5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole
SMILESC[C@H](c1cccc2ccccc12)n1cc2c(c1)SC(=C1Sc3cn([C@H](C)c4cccc5ccccc45)cc3S1)S2
InChIInChI=1S/C34H26N2S4/c1-21(25-15-7-11-23-9-3-5-13-27(23)25)35-17-29-30(18-35)38-33(37-29)34-39-31-19-36(20-32(31)40-34)22(2)26-16-8-12-24-10-4-6-14-28(24)26/h3-22H,1-2H3/t21-,22-/m1/s1
InChIKeyFOPKMZGSMXJIMB-FGZHOGPDSA-N
XLogP11.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.86
LogP ≤ 511.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole?
The IUPAC name of 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole (CID 139194358) is 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole.
What is the SMILES notation for 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole?
The canonical SMILES for 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole is C[C@H](c1cccc2ccccc12)n1cc2c(c1)SC(=C1Sc3cn([C@H](C)c4cccc5ccccc45)cc3S1)S2.
What is the InChIKey of 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole?
The InChIKey is FOPKMZGSMXJIMB-FGZHOGPDSA-N. The full InChI is InChI=1S/C34H26N2S4/c1-21(25-15-7-11-23-9-3-5-13-27(23)25)35-17-29-30(18-35)38-33(37-29)34-39-31-19-36(20-32(31)40-34)22(2)26-16-8-12-24-10-4-6-14-28(24)26/h3-22H,1-2H3/t21-,22-/m1/s1.
What are the key properties of 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole?
5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole has a molecular weight of 590.86 g/mol, XLogP of 11.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-naphthalen-1-ylethyl]-2-[5-[(1R)-1-naphthalen-1-ylethyl]-[1,3]dithiolo[4,5-c]pyrrol-2-ylidene]-[1,3]dithiolo[4,5-c]pyrrole is sourced from PubChem (CID 139194358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).