1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole

C28H20N2OS — CID 59307614

IUPAC1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole
SMILESO=S(c1cn(-c2ccccc2)c2ccccc12)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H20N2OS/c31-32(27-19-29(21-11-3-1-4-12-21)25-17-9-7-15-23(25)27)28-20-30(22-13-5-2-6-14-22)26-18-10-8-16-24(26)28/h1-20H
InChIKeyZEMDHJOFGUPRCJ-UHFFFAOYSA-N
MW432.55 g/mol
LogP6.74
Rot. Bonds4

About 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole

1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole (PubChem CID 59307614) has the molecular formula C28H20N2OS and a molecular weight of 432.55 g/mol. Its IUPAC name is 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole.

Molecular Properties

Compound Name1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole
PubChem CID59307614
Molecular FormulaC28H20N2OS
Molecular Weight432.55 g/mol
Exact Mass432.13
IUPAC Name1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole
SMILESO=S(c1cn(-c2ccccc2)c2ccccc12)c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C28H20N2OS/c31-32(27-19-29(21-11-3-1-4-12-21)25-17-9-7-15-23(25)27)28-20-30(22-13-5-2-6-14-22)26-18-10-8-16-24(26)28/h1-20H
InChIKeyZEMDHJOFGUPRCJ-UHFFFAOYSA-N
XLogP6.74
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole?
The IUPAC name of 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole (CID 59307614) is 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole.
What is the SMILES notation for 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole?
The canonical SMILES for 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole is O=S(c1cn(-c2ccccc2)c2ccccc12)c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole?
The InChIKey is ZEMDHJOFGUPRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2OS/c31-32(27-19-29(21-11-3-1-4-12-21)25-17-9-7-15-23(25)27)28-20-30(22-13-5-2-6-14-22)26-18-10-8-16-24(26)28/h1-20H.
What are the key properties of 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole?
1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole has a molecular weight of 432.55 g/mol, XLogP of 6.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(1-phenylindol-3-yl)sulfinylindole is sourced from PubChem (CID 59307614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).