4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine

C44H31N3Se — CID 166133546

IUPAC4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine
SMILESCc1c(C)c(-c2ccccc2)c2c(c1-c1nnnc(-c3ccccc3)c1-c1[se]c3ccccc3c1-c1ccccc1)Cc1ccccc1-2
InChIInChI=1S/C44H31N3Se/c1-27-28(2)38(35-26-32-22-12-13-23-33(32)40(35)37(27)29-16-6-3-7-17-29)43-41(42(45-47-46-43)31-20-10-5-11-21-31)44-39(30-18-8-4-9-19-30)34-24-14-15-25-36(34)48-44/h3-25H,26H2,1-2H3
InChIKeyTUINMJKTMOGWPR-UHFFFAOYSA-N
MW680.71 g/mol
LogP10.60
Rot. Bonds5

About 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine

4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine (PubChem CID 166133546) has the molecular formula C44H31N3Se and a molecular weight of 680.71 g/mol. Its IUPAC name is 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine.

Molecular Properties

Compound Name4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine
PubChem CID166133546
Molecular FormulaC44H31N3Se
Molecular Weight680.71 g/mol
Exact Mass681.17
IUPAC Name4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine
SMILESCc1c(C)c(-c2ccccc2)c2c(c1-c1nnnc(-c3ccccc3)c1-c1[se]c3ccccc3c1-c1ccccc1)Cc1ccccc1-2
InChIInChI=1S/C44H31N3Se/c1-27-28(2)38(35-26-32-22-12-13-23-33(32)40(35)37(27)29-16-6-3-7-17-29)43-41(42(45-47-46-43)31-20-10-5-11-21-31)44-39(30-18-8-4-9-19-30)34-24-14-15-25-36(34)48-44/h3-25H,26H2,1-2H3
InChIKeyTUINMJKTMOGWPR-UHFFFAOYSA-N
XLogP10.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.71
LogP ≤ 510.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)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

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-[3-(2,3-dimethyl-9H-fluoren-1-yl)-1-benzoselenophen-2-yl]phenyl]-6-phenyltriazine
CID 166133641
4-[2-[1-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)dibenzofuran-2-yl]phenyl]-5,6-diphenyltriazine
CID 166133942
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
2-[4-(3,4-dimethyl-2-phenyldibenzothiophen-1-yl)-6-(2-phenylphenyl)triazin-5-yl]-3,4-dimethyl-9H-indeno[2,1-b]pyridine
CID 172765031
2-(2,3-dimethyl-9H-fluoren-1-yl)-1-(5,6-diphenyltriazin-4-yl)-9H-carbazole
CID 166133765
2-methyl-6-phenyl-7H-indeno[2,1-c]quinoline
CID 12624418
4-phenyl-6-(1-phenyldibenzoselenophen-2-yl)-5-(2-phenylphenyl)triazine
CID 166133463
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-phenyl-6-(2-phenyldibenzofuran-1-yl)phenyl]triazine
CID 166134822
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[3-phenyl-2-(2-phenyldibenzothiophen-1-yl)phenyl]triazine
CID 166134723
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine?
The IUPAC name of 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine (CID 166133546) is 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine.
What is the SMILES notation for 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine?
The canonical SMILES for 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine is Cc1c(C)c(-c2ccccc2)c2c(c1-c1nnnc(-c3ccccc3)c1-c1[se]c3ccccc3c1-c1ccccc1)Cc1ccccc1-2.
What is the InChIKey of 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine?
The InChIKey is TUINMJKTMOGWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3Se/c1-27-28(2)38(35-26-32-22-12-13-23-33(32)40(35)37(27)29-16-6-3-7-17-29)43-41(42(45-47-46-43)31-20-10-5-11-21-31)44-39(30-18-8-4-9-19-30)34-24-14-15-25-36(34)48-44/h3-25H,26H2,1-2H3.
What are the key properties of 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine?
4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine has a molecular weight of 680.71 g/mol, XLogP of 10.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-4-phenyl-9H-fluoren-1-yl)-6-phenyl-5-(3-phenyl-1-benzoselenophen-2-yl)triazine is sourced from PubChem (CID 166133546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).