CID 54005811

C26H20P2S4 — CID 54005811

IUPAC—
SMILESS=P(=S)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)P(=S)=S
InChIInChI=1S/C26H20P2S4/c29-27(30)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28(31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyKOUQHURSJSKFPO-UHFFFAOYSA-N
MW522.66 g/mol
LogP7.69
Rot. Bonds7

About CID 54005811

CID 54005811 (PubChem CID 54005811) has the molecular formula C26H20P2S4 and a molecular weight of 522.66 g/mol.

Molecular Properties

Compound NameCID 54005811
PubChem CID54005811
Molecular FormulaC26H20P2S4
Molecular Weight522.66 g/mol
Exact Mass521.99
IUPAC Name—
SMILESS=P(=S)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)P(=S)=S
InChIInChI=1S/C26H20P2S4/c29-27(30)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28(31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyKOUQHURSJSKFPO-UHFFFAOYSA-N
XLogP7.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.66
LogP ≤ 57.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 87966855
CID 87966855
diphenylmethanediol;dihydrochloride
CID 174953837
dichloro(phenyl)methanol
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CID 174537383
1,1-diphenylpropane-1,2,2,3-tetrol
CID 54396902
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
[diphenyl(phosphanyl)methyl]phosphane
CID 23002363
2-phenylpropan-2-ylbenzene
CID 13065
CID 171375456
CID 171375456
2-methyl-2-phenylpropanethioamide
CID 59837413
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799

Frequently Asked Questions

What is the IUPAC name of CID 54005811?
The IUPAC name of CID 54005811 (CID 54005811) is not available.
What is the SMILES notation for CID 54005811?
The canonical SMILES for CID 54005811 is S=P(=S)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)(c1ccccc1)P(=S)=S.
What is the InChIKey of CID 54005811?
The InChIKey is KOUQHURSJSKFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20P2S4/c29-27(30)25(21-13-5-1-6-14-21,22-15-7-2-8-16-22)26(28(31)32,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of CID 54005811?
CID 54005811 has a molecular weight of 522.66 g/mol, XLogP of 7.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 54005811 is sourced from PubChem (CID 54005811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).