4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine

C58H35N3Se — CID 166133990

IUPAC4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine
SMILESC1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC=C2c1ccc2[se]c3ccccc3c2c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccnnn1
InChIInChI=1S/C58H35N3Se/c1-3-14-36(15-4-1)42-25-26-47(56(51-31-33-59-61-60-51)54(42)37-16-5-2-6-17-37)55-45(28-30-53-57(55)46-22-11-12-24-52(46)62-53)48-29-27-44-41-21-10-8-19-39(41)35-50(44)58(48)32-13-23-43-40-20-9-7-18-38(40)34-49(43)58/h1-35H
InChIKeyOTEAMXWERWZBMV-UHFFFAOYSA-N
MW852.90 g/mol
LogP13.82
Rot. Bonds5

About 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine

4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine (PubChem CID 166133990) has the molecular formula C58H35N3Se and a molecular weight of 852.90 g/mol. Its IUPAC name is 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine.

Molecular Properties

Compound Name4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine
PubChem CID166133990
Molecular FormulaC58H35N3Se
Molecular Weight852.90 g/mol
Exact Mass853.20
IUPAC Name4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine
SMILESC1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC=C2c1ccc2[se]c3ccccc3c2c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccnnn1
InChIInChI=1S/C58H35N3Se/c1-3-14-36(15-4-1)42-25-26-47(56(51-31-33-59-61-60-51)54(42)37-16-5-2-6-17-37)55-45(28-30-53-57(55)46-22-11-12-24-52(46)62-53)48-29-27-44-41-21-10-8-19-39(41)35-50(44)58(48)32-13-23-43-40-20-9-7-18-38(40)34-49(43)58/h1-35H
InChIKeyOTEAMXWERWZBMV-UHFFFAOYSA-N
XLogP13.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500852.90
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-phenyl-6-(2-phenylphenyl)-5-(1,1'-spirobi[fluorene]-2'-yl)triazine
CID 171060145
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 175869346
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
CID 175828137
4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine
CID 166135058
N-(2,3-dimethyl-6-phenylphenyl)-N-(2,3-diphenyl-9H-fluoren-1-yl)-1,1'-spirobi[fluorene]-2'-amine
CID 166133567
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
CID 166134012
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
1,2,3,4-tetraphenylbenzene;triazine
CID 175536377

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine?
The IUPAC name of 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine (CID 166133990) is 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine.
What is the SMILES notation for 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine?
The canonical SMILES for 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine is C1=CC2(C3=Cc4ccccc4C3=C1)C1=Cc3ccccc3C1=CC=C2c1ccc2[se]c3ccccc3c2c1-c1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccnnn1.
What is the InChIKey of 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine?
The InChIKey is OTEAMXWERWZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3Se/c1-3-14-36(15-4-1)42-25-26-47(56(51-31-33-59-61-60-51)54(42)37-16-5-2-6-17-37)55-45(28-30-53-57(55)46-22-11-12-24-52(46)62-53)48-29-27-44-41-21-10-8-19-39(41)35-50(44)58(48)32-13-23-43-40-20-9-7-18-38(40)34-49(43)58/h1-35H.
What are the key properties of 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine?
4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine has a molecular weight of 852.90 g/mol, XLogP of 13.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-diphenyl-6-[2-(1,1'-spirobi[fluorene]-2'-yl)dibenzoselenophen-1-yl]phenyl]triazine is sourced from PubChem (CID 166133990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).