2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C53H31N3OS — CID 166743231

IUPAC2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6c(-c7cc8c9ccccc9sc8c8ccccc78)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C53H31N3OS/c1-2-12-32(13-3-1)34-24-27-35(28-25-34)51-54-52(37-29-26-33-14-4-5-15-36(33)30-37)56-53(55-51)43-21-11-22-46-48(43)42-20-10-19-40(49(42)57-46)44-31-45-39-17-8-9-23-47(39)58-50(45)41-18-7-6-16-38(41)44/h1-31H
InChIKeyGEYXCUBYAIEIAN-UHFFFAOYSA-N
MW757.92 g/mol
LogP14.78
Rot. Bonds5

About 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166743231) has the molecular formula C53H31N3OS and a molecular weight of 757.92 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166743231
Molecular FormulaC53H31N3OS
Molecular Weight757.92 g/mol
Exact Mass757.22
IUPAC Name2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6c(-c7cc8c9ccccc9sc8c8ccccc78)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C53H31N3OS/c1-2-12-32(13-3-1)34-24-27-35(28-25-34)51-54-52(37-29-26-33-14-4-5-15-36(33)30-37)56-53(55-51)43-21-11-22-46-48(43)42-20-10-19-40(49(42)57-46)44-31-45-39-17-8-9-23-47(39)58-50(45)41-18-7-6-16-38(41)44/h1-31H
InChIKeyGEYXCUBYAIEIAN-UHFFFAOYSA-N
XLogP14.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.92
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-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

2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazine;2-(6-naphthalen-1-yldibenzofuran-1-yl)-4-naphtho[1,2-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-5-yl-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 163759628
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-phenyl-4-[9-(2-phenyldibenzothiophen-4-yl)dibenzofuran-4-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170199717
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 170301891
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2-(4-dibenzofuran-1-ylphenyl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166743049
2-dibenzothiophen-4-yl-4-(4-naphthalen-2-ylphenyl)-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259797
2-dibenzothiophen-2-yl-4-(6-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742461

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 166743231) is 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5oc6c(-c7cc8c9ccccc9sc8c8ccccc78)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GEYXCUBYAIEIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3OS/c1-2-12-32(13-3-1)34-24-27-35(28-25-34)51-54-52(37-29-26-33-14-4-5-15-36(33)30-37)56-53(55-51)43-21-11-22-46-48(43)42-20-10-19-40(49(42)57-46)44-31-45-39-17-8-9-23-47(39)58-50(45)41-18-7-6-16-38(41)44/h1-31H.
What are the key properties of 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 757.92 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166743231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).