1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium

C32H19NSY-2 — CID 153422201

IUPAC1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
SMILES[Y].[c-]1ccccc1-n1[c-]c(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c2ccccc21
InChIInChI=1S/C32H19NS.Y/c1-3-11-22(12-4-1)24-16-9-17-26-27-18-10-19-28(32(27)34-31(24)26)29-21-33(23-13-5-2-6-14-23)30-20-8-7-15-25(29)30;/h1-13,15-20H;/q-2;
InChIKeyAMROBUJRTWQTJR-UHFFFAOYSA-N
MW538.48 g/mol
LogP8.93
Rot. Bonds3

About 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium

1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium (PubChem CID 153422201) has the molecular formula C32H19NSY-2 and a molecular weight of 538.48 g/mol. Its IUPAC name is 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium.

Molecular Properties

Compound Name1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
PubChem CID153422201
Molecular FormulaC32H19NSY-2
Molecular Weight538.48 g/mol
Exact Mass538.03
IUPAC Name1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
SMILES[Y].[c-]1ccccc1-n1[c-]c(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c2ccccc21
InChIInChI=1S/C32H19NS.Y/c1-3-11-22(12-4-1)24-16-9-17-26-27-18-10-19-28(32(27)34-31(24)26)29-21-33(23-13-5-2-6-14-23)30-20-8-7-15-25(29)30;/h1-13,15-20H;/q-2;
InChIKeyAMROBUJRTWQTJR-UHFFFAOYSA-N
XLogP8.93
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.48
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
CID 153422236
3-phenyl-1-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]benzene-6-id-1-yl]-2H-indol-2-ide;yttrium
CID 153422270
9-[4-[6-(4-carbazol-9-ylphenyl)dibenzothiophen-4-yl]phenyl]carbazole
CID 118595129
5-methyl-11-phenyl-[1]benzothiolo[3,2-c]carbazole
CID 144782003
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
4-(3-carbazol-9-ylphenyl)-6-phenyl-[1]benzothiolo[3,2-b]pyridine
CID 122693097
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
9-[4-[4-phenyl-6-(6-phenyldibenzothiophen-4-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 169307270
2,4-diphenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 118650954
3,6-bis(9-phenylcarbazol-3-yl)-9-(6-phenyldibenzothiophen-4-yl)carbazole
CID 88594595
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
The IUPAC name of 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium (CID 153422201) is 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium.
What is the SMILES notation for 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
The canonical SMILES for 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium is [Y].[c-]1ccccc1-n1[c-]c(-c2cccc3c2sc2c(-c4ccccc4)cccc23)c2ccccc21.
What is the InChIKey of 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
The InChIKey is AMROBUJRTWQTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NS.Y/c1-3-11-22(12-4-1)24-16-9-17-26-27-18-10-19-28(32(27)34-31(24)26)29-21-33(23-13-5-2-6-14-23)30-20-8-7-15-25(29)30;/h1-13,15-20H;/q-2;.
What are the key properties of 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium has a molecular weight of 538.48 g/mol, XLogP of 8.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium is sourced from PubChem (CID 153422201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).