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

C72H49N3Se — CID 175869346

IUPAC4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4-c4ccccc4)c(-c4ccccc4)c4[se]c5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2
InChIInChI=1S/C72H49N3Se/c1-45-43-60-54-34-16-15-31-51(54)44-61(60)64(46(45)2)71-68(57-36-20-18-33-53(57)48-25-9-4-10-26-48)65(50-29-13-6-14-30-50)72-70(58-37-21-22-38-63(58)76-72)69(71)59-40-39-55(49-27-11-5-12-28-49)66(67(59)62-41-42-73-75-74-62)56-35-19-17-32-52(56)47-23-7-3-8-24-47/h3-43H,44H2,1-2H3
InChIKeyQQZMZAUEPFGPHB-UHFFFAOYSA-N
MW1035.17 g/mol
LogP18.43
Rot. Bonds9

About 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

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 (PubChem CID 175869346) has the molecular formula C72H49N3Se and a molecular weight of 1035.17 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
PubChem CID175869346
Molecular FormulaC72H49N3Se
Molecular Weight1035.17 g/mol
Exact Mass1035.31
IUPAC Name4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-3-(2-phenylphenyl)dibenzoselenophen-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
SMILESCc1cc2c(c(-c3c(-c4ccccc4-c4ccccc4)c(-c4ccccc4)c4[se]c5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2
InChIInChI=1S/C72H49N3Se/c1-45-43-60-54-34-16-15-31-51(54)44-61(60)64(46(45)2)71-68(57-36-20-18-33-53(57)48-25-9-4-10-26-48)65(50-29-13-6-14-30-50)72-70(58-37-21-22-38-63(58)76-72)69(71)59-40-39-55(49-27-11-5-12-28-49)66(67(59)62-41-42-73-75-74-62)56-35-19-17-32-52(56)47-23-7-3-8-24-47/h3-43H,44H2,1-2H3
InChIKeyQQZMZAUEPFGPHB-UHFFFAOYSA-N
XLogP18.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.17
LogP ≤ 518.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3-phenyl-2-(2-phenylphenyl)phenyl]triazine
CID 166134319
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3,4,6-triphenyldibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 175810726
4-[6-[2-(2,3-dimethyl-9H-fluoren-1-yl)-3-phenyldibenzothiophen-1-yl]-2,3-diphenylphenyl]triazine
CID 166134012
4-[6-[2,3-bis(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-2,3-diphenylphenyl]triazine
CID 166134357
4-[2-(2,3-dimethyl-9H-fluoren-1-yl)-6-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzothiophen-1-yl]-3-phenylphenyl]triazine
CID 166134982
4-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-phenyl-4-(2-phenylphenyl)dibenzofuran-2-yl]triazine
CID 175828120
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzofuran-1-yl]-3,5,6-triphenylphenyl]triazine
CID 166133716
4-(2,3-dimethyl-9H-fluoren-1-yl)triazine
CID 170983869
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-(3-phenyl-1-benzoselenophen-2-yl)-6-(2-phenylphenyl)triazine
CID 166134239
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 175536310

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(c(-c3c(-c4ccccc4-c4ccccc4)c(-c4ccccc4)c4[se]c5ccccc5c4c3-c3ccc(-c4ccccc4)c(-c4ccccc4-c4ccccc4)c3-c3ccnnn3)c1C)Cc1ccccc1-2.
What is the InChIKey of 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?
The InChIKey is QQZMZAUEPFGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3Se/c1-45-43-60-54-34-16-15-31-51(54)44-61(60)64(46(45)2)71-68(57-36-20-18-33-53(57)48-25-9-4-10-26-48)65(50-29-13-6-14-30-50)72-70(58-37-21-22-38-63(58)76-72)69(71)59-40-39-55(49-27-11-5-12-28-49)66(67(59)62-41-42-73-75-74-62)56-35-19-17-32-52(56)47-23-7-3-8-24-47/h3-43H,44H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1035.17 g/mol, XLogP of 18.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175869346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).