1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole

C33H30N2O2S2 — CID 59307578

IUPAC1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole
SMILESCc1ccc(S(=O)n2cc(C(C)(C)c3cn(S(=O)c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C33H30N2O2S2/c1-23-13-17-25(18-14-23)38(36)34-21-29(27-9-5-7-11-31(27)34)33(3,4)30-22-35(32-12-8-6-10-28(30)32)39(37)26-19-15-24(2)16-20-26/h5-22H,1-4H3
InChIKeyIZXNOFMRRREAOX-UHFFFAOYSA-N
MW550.75 g/mol
LogP7.68
Rot. Bonds6

About 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole

1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole (PubChem CID 59307578) has the molecular formula C33H30N2O2S2 and a molecular weight of 550.75 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole
PubChem CID59307578
Molecular FormulaC33H30N2O2S2
Molecular Weight550.75 g/mol
Exact Mass550.17
IUPAC Name1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole
SMILESCc1ccc(S(=O)n2cc(C(C)(C)c3cn(S(=O)c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1
InChIInChI=1S/C33H30N2O2S2/c1-23-13-17-25(18-14-23)38(36)34-21-29(27-9-5-7-11-31(27)34)33(3,4)30-22-35(32-12-8-6-10-28(30)32)39(37)26-19-15-24(2)16-20-26/h5-22H,1-4H3
InChIKeyIZXNOFMRRREAOX-UHFFFAOYSA-N
XLogP7.68
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.75
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole?
The IUPAC name of 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole (CID 59307578) is 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole.
What is the SMILES notation for 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole?
The canonical SMILES for 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole is Cc1ccc(S(=O)n2cc(C(C)(C)c3cn(S(=O)c4ccc(C)cc4)c4ccccc34)c3ccccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole?
The InChIKey is IZXNOFMRRREAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N2O2S2/c1-23-13-17-25(18-14-23)38(36)34-21-29(27-9-5-7-11-31(27)34)33(3,4)30-22-35(32-12-8-6-10-28(30)32)39(37)26-19-15-24(2)16-20-26/h5-22H,1-4H3.
What are the key properties of 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole?
1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole has a molecular weight of 550.75 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfinyl-3-[2-[1-(4-methylphenyl)sulfinylindol-3-yl]propan-2-yl]indole is sourced from PubChem (CID 59307578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).