tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane

C23H40N2S — CID 129273745

IUPACtri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane
SMILESCC(C)c1ccn(CC(C)c2ccn(S(C(C)C)(C(C)C)C(C)C)c2)c1
InChIInChI=1S/C23H40N2S/c1-17(2)22-10-12-24(15-22)14-21(9)23-11-13-25(16-23)26(18(3)4,19(5)6)20(7)8/h10-13,15-21H,14H2,1-9H3
InChIKeyWEIUQPGSLLJUOC-UHFFFAOYSA-N
MW376.65 g/mol
LogP7.01
Rot. Bonds8

About tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane

tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane (PubChem CID 129273745) has the molecular formula C23H40N2S and a molecular weight of 376.65 g/mol. Its IUPAC name is tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane
PubChem CID129273745
Molecular FormulaC23H40N2S
Molecular Weight376.65 g/mol
Exact Mass376.29
IUPAC Nametri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane
SMILESCC(C)c1ccn(CC(C)c2ccn(S(C(C)C)(C(C)C)C(C)C)c2)c1
InChIInChI=1S/C23H40N2S/c1-17(2)22-10-12-24(15-22)14-21(9)23-11-13-25(16-23)26(18(3)4,19(5)6)20(7)8/h10-13,15-21H,14H2,1-9H3
InChIKeyWEIUQPGSLLJUOC-UHFFFAOYSA-N
XLogP7.01
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.65
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane?
The IUPAC name of tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane (CID 129273745) is tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane.
What is the SMILES notation for tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane?
The canonical SMILES for tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane is CC(C)c1ccn(CC(C)c2ccn(S(C(C)C)(C(C)C)C(C)C)c2)c1.
What is the InChIKey of tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane?
The InChIKey is WEIUQPGSLLJUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2S/c1-17(2)22-10-12-24(15-22)14-21(9)23-11-13-25(16-23)26(18(3)4,19(5)6)20(7)8/h10-13,15-21H,14H2,1-9H3.
What are the key properties of tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane?
tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane has a molecular weight of 376.65 g/mol, XLogP of 7.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3-[1-(3-propan-2-ylpyrrol-1-yl)propan-2-yl]pyrrol-1-yl]-λ4-sulfane is sourced from PubChem (CID 129273745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).