1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene

C30H22O4S4 — CID 102303456

IUPAC1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
SMILESO=S(c1ccccc1)c1ccc(S(=O)c2ccc(S(=O)c3ccc(S(=O)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H22O4S4/c31-35(23-7-3-1-4-8-23)25-11-15-27(16-12-25)37(33)29-19-21-30(22-20-29)38(34)28-17-13-26(14-18-28)36(32)24-9-5-2-6-10-24/h1-22H
InChIKeyWAYROZBEDLHTJA-UHFFFAOYSA-N
MW574.77 g/mol
LogP6.35
Rot. Bonds8

About 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene

1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene (PubChem CID 102303456) has the molecular formula C30H22O4S4 and a molecular weight of 574.77 g/mol. Its IUPAC name is 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene.

Molecular Properties

Compound Name1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
PubChem CID102303456
Molecular FormulaC30H22O4S4
Molecular Weight574.77 g/mol
Exact Mass574.04
IUPAC Name1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene
SMILESO=S(c1ccccc1)c1ccc(S(=O)c2ccc(S(=O)c3ccc(S(=O)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H22O4S4/c31-35(23-7-3-1-4-8-23)25-11-15-27(16-12-25)37(33)29-19-21-30(22-20-29)38(34)28-17-13-26(14-18-28)36(32)24-9-5-2-6-10-24/h1-22H
InChIKeyWAYROZBEDLHTJA-UHFFFAOYSA-N
XLogP6.35
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.77
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

1-(benzenesulfinyl)-4-fluorobenzene
CID 21200956
4-(benzenesulfinyl)benzaldehyde
CID 11031685
benzenesulfinylbenzene;trichloro(methyl)silane
CID 68863151
1-nitro-4-[(S)-phenylsulfinyl]benzene
CID 93233774
1-(benzenesulfinyl)-4-isothiocyanatobenzene
CID 23274654
4-(benzenesulfinyl)-N-ethylaniline
CID 53343998
1-(benzenesulfinyl)-4-[4-(benzenesulfonyl)phenyl]benzene
CID 121486129
benzenesulfinylbenzene;1,1-diaminourea
CID 174862633
bis(4-(4-aminophenyl)aniline);benzenesulfinylbenzene;trihydrate
CID 139145467
1-chloro-3-[(R)-phenylsulfinyl]benzene
CID 93022884
4-(benzenesulfinyl)phenol;2-methylpropane;propane
CID 143694404
4-(benzenesulfinyl)-2,6-dichloropyridine
CID 118642020

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene?
The IUPAC name of 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene (CID 102303456) is 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene.
What is the SMILES notation for 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene?
The canonical SMILES for 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene is O=S(c1ccccc1)c1ccc(S(=O)c2ccc(S(=O)c3ccc(S(=O)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene?
The InChIKey is WAYROZBEDLHTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22O4S4/c31-35(23-7-3-1-4-8-23)25-11-15-27(16-12-25)37(33)29-19-21-30(22-20-29)38(34)28-17-13-26(14-18-28)36(32)24-9-5-2-6-10-24/h1-22H.
What are the key properties of 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene?
1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene has a molecular weight of 574.77 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfinyl)-4-[4-[4-(benzenesulfinyl)phenyl]sulfinylphenyl]sulfinylbenzene is sourced from PubChem (CID 102303456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).