4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine

C44H28N4Se — CID 166135058

IUPAC4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine
SMILESc1ccc(-c2cccnc2-c2c(-c3ccccc3)nnnc2-c2ccccc2-c2ccc3[se]c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H28N4Se/c1-4-15-29(16-5-1)32-24-14-28-45-43(32)41-42(31-19-8-3-9-20-31)46-48-47-44(41)35-22-11-10-21-33(35)34-26-27-38-40(36-23-12-13-25-37(36)49-38)39(34)30-17-6-2-7-18-30/h1-28H
InChIKeyJPKITELDVSYILU-UHFFFAOYSA-N
MW691.70 g/mol
LogP10.63
Rot. Bonds6

About 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine

4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine (PubChem CID 166135058) has the molecular formula C44H28N4Se and a molecular weight of 691.70 g/mol. Its IUPAC name is 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine.

Molecular Properties

Compound Name4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine
PubChem CID166135058
Molecular FormulaC44H28N4Se
Molecular Weight691.70 g/mol
Exact Mass692.15
IUPAC Name4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine
SMILESc1ccc(-c2cccnc2-c2c(-c3ccccc3)nnnc2-c2ccccc2-c2ccc3[se]c4ccccc4c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H28N4Se/c1-4-15-29(16-5-1)32-24-14-28-45-43(32)41-42(31-19-8-3-9-20-31)46-48-47-44(41)35-22-11-10-21-33(35)34-26-27-38-40(36-23-12-13-25-37(36)49-38)39(34)30-17-6-2-7-18-30/h1-28H
InChIKeyJPKITELDVSYILU-UHFFFAOYSA-N
XLogP10.63
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.70
LogP ≤ 510.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)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-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-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4-[2-(2-dibenzothiophen-1-ylphenyl)phenyl]-5,6-diphenyltriazine;4,5-diphenyl-6-(1-phenyldibenzoselenophen-2-yl)triazine
CID 175594593
5-(2,3-dimethyl-9H-fluoren-1-yl)-4-phenyl-6-[2-[2-(2-phenylphenyl)phenyl]dibenzoselenophen-1-yl]triazine
CID 166134544
4,5-diphenyl-6-[2-(1-phenyldibenzothiophen-2-yl)phenyl]triazine
CID 166135108
4-[2-[2-(2,3-dimethyl-9H-fluoren-1-yl)dibenzoselenophen-1-yl]-3-phenylphenyl]-5,6-diphenyltriazine
CID 166134177
4-phenyl-5-(2-phenylphenyl)-6-[2-(2-phenylphenyl)phenyl]triazine
CID 171060190
4,5-diphenyl-6-[2-[4-phenyl-2,3,6-tris(2-phenylphenyl)dibenzofuran-1-yl]phenyl]triazine
CID 175875594
4-[2-(2-dibenzofuran-1-ylphenyl)phenyl]-5,6-diphenyltriazine
CID 175594594
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
4,5-diphenyl-6-[2-(2-phenylphenyl)dibenzothiophen-1-yl]triazine
CID 166133527
2-phenyl-3-[2-[2-(2-phenyl-3-pyridinyl)phenyl]phenyl]pyridine
CID 58947757

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine?
The IUPAC name of 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine (CID 166135058) is 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine.
What is the SMILES notation for 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine?
The canonical SMILES for 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine is c1ccc(-c2cccnc2-c2c(-c3ccccc3)nnnc2-c2ccccc2-c2ccc3[se]c4ccccc4c3c2-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine?
The InChIKey is JPKITELDVSYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4Se/c1-4-15-29(16-5-1)32-24-14-28-45-43(32)41-42(31-19-8-3-9-20-31)46-48-47-44(41)35-22-11-10-21-33(35)34-26-27-38-40(36-23-12-13-25-37(36)49-38)39(34)30-17-6-2-7-18-30/h1-28H.
What are the key properties of 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine?
4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine has a molecular weight of 691.70 g/mol, XLogP of 10.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[2-(1-phenyldibenzoselenophen-2-yl)phenyl]-5-(3-phenyl-2-pyridinyl)triazine is sourced from PubChem (CID 166135058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).