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

C44H25NSY-2 — CID 153422236

IUPAC1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
SMILES[Y].[c-]1ccccc1-n1[c-]c(-c2cccc3c2sc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)c2ccccc21
InChIInChI=1S/C44H25NS.Y/c1-2-12-29(13-3-1)45-27-41(36-18-8-9-23-42(36)45)39-22-11-21-38-37-20-10-19-30(43(37)46-44(38)39)28-24-25-35-33-16-5-4-14-31(33)32-15-6-7-17-34(32)40(35)26-28;/h1-12,14-26H;/q-2;
InChIKeyLEHLRIZENRNHHV-UHFFFAOYSA-N
MW688.66 g/mol
LogP12.39
Rot. Bonds3

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

1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium (PubChem CID 153422236) has the molecular formula C44H25NSY-2 and a molecular weight of 688.66 g/mol. Its IUPAC name is 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium.

Molecular Properties

Compound Name1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
PubChem CID153422236
Molecular FormulaC44H25NSY-2
Molecular Weight688.66 g/mol
Exact Mass688.08
IUPAC Name1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
SMILES[Y].[c-]1ccccc1-n1[c-]c(-c2cccc3c2sc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)c2ccccc21
InChIInChI=1S/C44H25NS.Y/c1-2-12-29(13-3-1)45-27-41(36-18-8-9-23-42(36)45)39-22-11-21-38-37-20-10-19-30(43(37)46-44(38)39)28-24-25-35-33-16-5-4-14-31(33)32-15-6-7-17-34(32)40(35)26-28;/h1-12,14-26H;/q-2;
InChIKeyLEHLRIZENRNHHV-UHFFFAOYSA-N
XLogP12.39
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.66
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium with MolForge

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Launch Full Analysis

Related Compounds

1-phenyl-3-(6-phenyldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium
CID 153422201
3-phenyl-1-[3-[6-(4-phenylphenyl)dibenzothiophen-4-yl]benzene-6-id-1-yl]-2H-indol-2-ide;yttrium
CID 153422270
4-[2-(4-phenylphenyl)phenyl]-6-triphenylen-2-yldibenzothiophene
CID 118349952
4-(3-dibenzothiophen-4-ylphenyl)-6-triphenylen-2-yldibenzothiophene
CID 140940381
3-(6-phenyldibenzothiophen-4-yl)-9-triphenylen-2-ylcarbazole
CID 87156299
5-dibenzothiophen-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163561204
4-(9H-fluoren-9-yl)-6-triphenylen-2-yldibenzothiophene
CID 118685467
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886
3-[3-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-6-triphenylen-2-yldibenzothiophene
CID 134507763
5-dibenzothiophen-4-yl-23,30-diphenyl-23,30-diazaheptacyclo[18.12.0.02,7.08,13.014,19.022,31.024,29]dotriaconta-1(32),2(7),3,5,8,10,12,14,16,18,20,22(31),24,26,28-pentadecaene
CID 134428349
2-(7-dibenzothiophen-4-yltriphenylen-2-yl)dibenzothiophene
CID 155401257
8-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 177115919

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
The IUPAC name of 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium (CID 153422236) is 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium.
What is the SMILES notation for 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
The canonical SMILES for 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium is [Y].[c-]1ccccc1-n1[c-]c(-c2cccc3c2sc2c(-c4ccc5c6ccccc6c6ccccc6c5c4)cccc23)c2ccccc21.
What is the InChIKey of 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
The InChIKey is LEHLRIZENRNHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NS.Y/c1-2-12-29(13-3-1)45-27-41(36-18-8-9-23-42(36)45)39-22-11-21-38-37-20-10-19-30(43(37)46-44(38)39)28-24-25-35-33-16-5-4-14-31(33)32-15-6-7-17-34(32)40(35)26-28;/h1-12,14-26H;/q-2;.
What are the key properties of 1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium?
1-phenyl-3-(6-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium has a molecular weight of 688.66 g/mol, XLogP of 12.39, 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-triphenylen-2-yldibenzothiophen-4-yl)-2H-indol-2-ide;yttrium is sourced from PubChem (CID 153422236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).