4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine

C54H37N3Se — CID 166134177

IUPAC4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
SMILESCc1cc2c(c(-c3ccc4[se]c5ccccc5c4c3-c3c(-c4ccccc4)cccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3Se/c1-33-31-44-39-24-13-12-23-38(39)32-45(44)48(34(33)2)42-29-30-47-51(41-25-14-15-28-46(41)58-47)52(42)50-40(35-17-6-3-7-18-35)26-16-27-43(50)54-49(36-19-8-4-9-20-36)53(55-57-56-54)37-21-10-5-11-22-37/h3-31H,32H2,1-2H3
InChIKeyKGLRKGBNTWAYPZ-UHFFFAOYSA-N
MW806.87 g/mol
LogP13.43
Rot. Bonds6

About 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine

4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine (PubChem CID 166134177) has the molecular formula C54H37N3Se and a molecular weight of 806.87 g/mol. Its IUPAC name is 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine.

Molecular Properties

Compound Name4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
PubChem CID166134177
Molecular FormulaC54H37N3Se
Molecular Weight806.87 g/mol
Exact Mass807.22
IUPAC Name4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
SMILESCc1cc2c(c(-c3ccc4[se]c5ccccc5c4c3-c3c(-c4ccccc4)cccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c1C)Cc1ccccc1-2
InChIInChI=1S/C54H37N3Se/c1-33-31-44-39-24-13-12-23-38(39)32-45(44)48(34(33)2)42-29-30-47-51(41-25-14-15-28-46(41)58-47)52(42)50-40(35-17-6-3-7-18-35)26-16-27-43(50)54-49(36-19-8-4-9-20-36)53(55-57-56-54)37-21-10-5-11-22-37/h3-31H,32H2,1-2H3
InChIKeyKGLRKGBNTWAYPZ-UHFFFAOYSA-N
XLogP13.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.87
LogP ≤ 513.43
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

5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-[2-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-benzoselenophen-2-yl]phenyl]-6-phenyltriazine
CID 166133641
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166134087
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-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
CID 166133765
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
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
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)dibenzothiophen-1-yl]phenyl]triazine
CID 166133543
5-phenyl-4-(2-phenylphenyl)-6-[3-phenyl-6-(2-phenylphenyl)-2-[2-(2-phenylphenyl)dibenzoselenophen-1-yl]phenyl]triazine
CID 175828137
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-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine?
The IUPAC name of 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine (CID 166134177) is 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine.
What is the SMILES notation for 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine?
The canonical SMILES for 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine is Cc1cc2c(c(-c3ccc4[se]c5ccccc5c4c3-c3c(-c4ccccc4)cccc3-c3nnnc(-c4ccccc4)c3-c3ccccc3)c1C)Cc1ccccc1-2.
What is the InChIKey of 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine?
The InChIKey is KGLRKGBNTWAYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3Se/c1-33-31-44-39-24-13-12-23-38(39)32-45(44)48(34(33)2)42-29-30-47-51(41-25-14-15-28-46(41)58-47)52(42)50-40(35-17-6-3-7-18-35)26-16-27-43(50)54-49(36-19-8-4-9-20-36)53(55-57-56-54)37-21-10-5-11-22-37/h3-31H,32H2,1-2H3.
What are the key properties of 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine?
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine has a molecular weight of 806.87 g/mol, XLogP of 13.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine is sourced from PubChem (CID 166134177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).