1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione

C32H20O2S2 — CID 71414553

IUPAC1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
SMILESO=C1c2cccc(Sc3ccc(-c4ccccc4)cc3)c2C(=O)c2cccc(Sc3ccccc3)c21
InChIInChI=1S/C32H20O2S2/c33-31-26-14-8-16-28(36-24-19-17-22(18-20-24)21-9-3-1-4-10-21)30(26)32(34)25-13-7-15-27(29(25)31)35-23-11-5-2-6-12-23/h1-20H
InChIKeyRYXYLDQTTLCBCK-UHFFFAOYSA-N
MW500.64 g/mol
LogP8.43
Rot. Bonds5

About 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione

1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione (PubChem CID 71414553) has the molecular formula C32H20O2S2 and a molecular weight of 500.64 g/mol. Its IUPAC name is 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione.

Molecular Properties

Compound Name1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
PubChem CID71414553
Molecular FormulaC32H20O2S2
Molecular Weight500.64 g/mol
Exact Mass500.09
IUPAC Name1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione
SMILESO=C1c2cccc(Sc3ccc(-c4ccccc4)cc3)c2C(=O)c2cccc(Sc3ccccc3)c21
InChIInChI=1S/C32H20O2S2/c33-31-26-14-8-16-28(36-24-19-17-22(18-20-24)21-9-3-1-4-10-21)30(26)32(34)25-13-7-15-27(29(25)31)35-23-11-5-2-6-12-23/h1-20H
InChIKeyRYXYLDQTTLCBCK-UHFFFAOYSA-N
XLogP8.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.64
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione?
The IUPAC name of 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione (CID 71414553) is 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione.
What is the SMILES notation for 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione?
The canonical SMILES for 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione is O=C1c2cccc(Sc3ccc(-c4ccccc4)cc3)c2C(=O)c2cccc(Sc3ccccc3)c21.
What is the InChIKey of 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione?
The InChIKey is RYXYLDQTTLCBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O2S2/c33-31-26-14-8-16-28(36-24-19-17-22(18-20-24)21-9-3-1-4-10-21)30(26)32(34)25-13-7-15-27(29(25)31)35-23-11-5-2-6-12-23/h1-20H.
What are the key properties of 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione?
1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione has a molecular weight of 500.64 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)sulfanyl-5-phenylsulfanylanthracene-9,10-dione is sourced from PubChem (CID 71414553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).