2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine

C52H35N3S — CID 139441741

IUPAC2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine
SMILESCN1C(c2c(-c3ccccc3)ccc3ccccc23)=NC(c2cccc(-c3cc4ccccc4c4ccccc34)c2)=NC1c1cccc2c1sc1ccccc12
InChIInChI=1S/C52H35N3S/c1-55-51(45-27-14-26-44-43-25-11-12-28-47(43)56-49(44)45)53-50(54-52(55)48-39-22-8-5-17-34(39)29-30-40(48)33-15-3-2-4-16-33)37-20-13-19-35(31-37)46-32-36-18-6-7-21-38(36)41-23-9-10-24-42(41)46/h2-32,51H,1H3
InChIKeyRZOARWZHFVRJRO-UHFFFAOYSA-N
MW733.94 g/mol
LogP13.69
Rot. Bonds5

About 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine

2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine (PubChem CID 139441741) has the molecular formula C52H35N3S and a molecular weight of 733.94 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine
PubChem CID139441741
Molecular FormulaC52H35N3S
Molecular Weight733.94 g/mol
Exact Mass733.26
IUPAC Name2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine
SMILESCN1C(c2c(-c3ccccc3)ccc3ccccc23)=NC(c2cccc(-c3cc4ccccc4c4ccccc34)c2)=NC1c1cccc2c1sc1ccccc12
InChIInChI=1S/C52H35N3S/c1-55-51(45-27-14-26-44-43-25-11-12-28-47(43)56-49(44)45)53-50(54-52(55)48-39-22-8-5-17-34(39)29-30-40(48)33-15-3-2-4-16-33)37-20-13-19-35(31-37)46-32-36-18-6-7-21-38(36)41-23-9-10-24-42(41)46/h2-32,51H,1H3
InChIKeyRZOARWZHFVRJRO-UHFFFAOYSA-N
XLogP13.69
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.94
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-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-dibenzothiophen-4-yl-4-(2-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 139441619
4-[3-(3-phenanthren-9-ylphenyl)phenyl]dibenzothiophene
CID 87423549
4-(3-phenanthren-9-ylphenyl)dibenzothiophene;4-[4-[3-[3-(3-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene;4-[4-[3-[3-(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenyl]dibenzothiophene
CID 157203788
3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-4-phenyldibenzothiophene
CID 59413088
2-dibenzothiophen-4-yl-4,6-bis(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155480714
9-(3-phenanthren-9-ylphenyl)-10-[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413034
2-(3-phenanthren-3-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 146766875
2-dibenzothiophen-4-yl-4-(3-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 155481419
2-dibenzothiophen-4-yl-4-(3-phenanthren-9-ylphenyl)-6-(4-phenanthren-9-ylphenyl)-1,3,5-triazine
CID 139441740
2,4-di(dibenzothiophen-4-yl)-6-[2-(2-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 167349176
2-dibenzothiophen-4-yl-4-[4-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481329
2-dibenzothiophen-4-yl-4-phenyl-6-[3-[3-(4-phenylnaphthalen-1-yl)phenanthren-9-yl]phenyl]-1,3,5-triazine
CID 155481336

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine (CID 139441741) is 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine is CN1C(c2c(-c3ccccc3)ccc3ccccc23)=NC(c2cccc(-c3cc4ccccc4c4ccccc34)c2)=NC1c1cccc2c1sc1ccccc12.
What is the InChIKey of 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine?
The InChIKey is RZOARWZHFVRJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3S/c1-55-51(45-27-14-26-44-43-25-11-12-28-47(43)56-49(44)45)53-50(54-52(55)48-39-22-8-5-17-34(39)29-30-40(48)33-15-3-2-4-16-33)37-20-13-19-35(31-37)46-32-36-18-6-7-21-38(36)41-23-9-10-24-42(41)46/h2-32,51H,1H3.
What are the key properties of 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine?
2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine has a molecular weight of 733.94 g/mol, XLogP of 13.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-1-methyl-4-(3-phenanthren-9-ylphenyl)-6-(2-phenylnaphthalen-1-yl)-2H-1,3,5-triazine is sourced from PubChem (CID 139441741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).