(triphenyl-λ4-sulfanyl) furan-2-carboxylate

C207H162O27S9 — CID 164863149

IUPAC(triphenyl-λ4-sulfanyl) furan-2-carboxylate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/9C23H18O3S/c9*24-23(22-17-10-18-25-22)26-27(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h9*1-18H
InChIKeyRLWYNVHGJLBVLC-UHFFFAOYSA-N
MW3370.15 g/mol
LogP57.00
Rot. Bonds45

About (triphenyl-λ4-sulfanyl) furan-2-carboxylate

(triphenyl-λ4-sulfanyl) furan-2-carboxylate (PubChem CID 164863149) has the molecular formula C207H162O27S9 and a molecular weight of 3370.15 g/mol. Its IUPAC name is (triphenyl-λ4-sulfanyl) furan-2-carboxylate.

Molecular Properties

Compound Name(triphenyl-λ4-sulfanyl) furan-2-carboxylate
PubChem CID164863149
Molecular FormulaC207H162O27S9
Molecular Weight3370.15 g/mol
Exact Mass3366.88
IUPAC Name(triphenyl-λ4-sulfanyl) furan-2-carboxylate
SMILESO=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1
InChIInChI=1S/9C23H18O3S/c9*24-23(22-17-10-18-25-22)26-27(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h9*1-18H
InChIKeyRLWYNVHGJLBVLC-UHFFFAOYSA-N
XLogP57.00
TPSA354.96 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds45
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003370.15
LogP ≤ 557.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

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Frequently Asked Questions

What is the IUPAC name of (triphenyl-λ4-sulfanyl) furan-2-carboxylate?
The IUPAC name of (triphenyl-λ4-sulfanyl) furan-2-carboxylate (CID 164863149) is (triphenyl-λ4-sulfanyl) furan-2-carboxylate.
What is the SMILES notation for (triphenyl-λ4-sulfanyl) furan-2-carboxylate?
The canonical SMILES for (triphenyl-λ4-sulfanyl) furan-2-carboxylate is O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.O=C(OS(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccco1.
What is the InChIKey of (triphenyl-λ4-sulfanyl) furan-2-carboxylate?
The InChIKey is RLWYNVHGJLBVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/9C23H18O3S/c9*24-23(22-17-10-18-25-22)26-27(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21/h9*1-18H.
What are the key properties of (triphenyl-λ4-sulfanyl) furan-2-carboxylate?
(triphenyl-λ4-sulfanyl) furan-2-carboxylate has a molecular weight of 3370.15 g/mol, XLogP of 57.00, 45 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (triphenyl-λ4-sulfanyl) furan-2-carboxylate is sourced from PubChem (CID 164863149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).