2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine

C53H33N3OS — CID 175618024

IUPAC2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccc5ccccc5c34)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C53H33N3OS/c1-3-13-32(14-4-1)37-20-11-22-43-44-23-12-21-42(50(44)58-49(37)43)38-29-30-45(48-36-18-8-7-15-33(36)25-28-41(38)48)53-55-51(34-16-5-2-6-17-34)54-52(56-53)35-26-27-40-39-19-9-10-24-46(39)57-47(40)31-35/h1-31,52H,(H,54,55,56)
InChIKeyHFHOMZBRBWGCQO-UHFFFAOYSA-N
MW759.93 g/mol
LogP14.09
Rot. Bonds5

About 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine

2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 175618024) has the molecular formula C53H33N3OS and a molecular weight of 759.93 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID175618024
Molecular FormulaC53H33N3OS
Molecular Weight759.93 g/mol
Exact Mass759.23
IUPAC Name2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccc5ccccc5c34)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C53H33N3OS/c1-3-13-32(14-4-1)37-20-11-22-43-44-23-12-21-42(50(44)58-49(37)43)38-29-30-45(48-36-18-8-7-15-33(36)25-28-41(38)48)53-55-51(34-16-5-2-6-17-34)54-52(56-53)35-26-27-40-39-19-9-10-24-46(39)57-47(40)31-35/h1-31,52H,(H,54,55,56)
InChIKeyHFHOMZBRBWGCQO-UHFFFAOYSA-N
XLogP14.09
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.93
LogP ≤ 514.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-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-dibenzofuran-3-yl-4-[1-[6-(2,3,4,5,6-pentadeuteriophenyl)dibenzothiophen-4-yl]phenanthren-4-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 171762113
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449
4-(7-naphtho[2,1-b][1]benzothiol-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029732
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
2-dibenzofuran-3-yl-4-phenyl-6-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,3,5-triazine
CID 139404323
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
2-cyclohexa-1,5-dien-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-10-yldibenzothiophen-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 146951205
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170294290
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine (CID 175618024) is 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4cccc5c4sc4c(-c6ccccc6)cccc45)c4ccc5ccccc5c34)=NC(c3ccc4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is HFHOMZBRBWGCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3OS/c1-3-13-32(14-4-1)37-20-11-22-43-44-23-12-21-42(50(44)58-49(37)43)38-29-30-45(48-36-18-8-7-15-33(36)25-28-41(38)48)53-55-51(34-16-5-2-6-17-34)54-52(56-53)35-26-27-40-39-19-9-10-24-46(39)57-47(40)31-35/h1-31,52H,(H,54,55,56).
What are the key properties of 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 759.93 g/mol, XLogP of 14.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-6-phenyl-4-[1-(6-phenyldibenzothiophen-4-yl)phenanthren-4-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 175618024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).