2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

C55H35N3O2 — CID 167007473

IUPAC2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)cc7ccccc67)c6oc7ccccc7c56)n4)ccc23)CC1
InChIInChI=1S/C55H35N3O2/c1-3-13-34(14-4-1)36-23-25-37(26-24-36)53-56-54(39-27-28-43-42-19-9-11-21-48(42)59-50(43)33-39)58-55(57-53)46-30-29-44(52-51(46)45-20-10-12-22-49(45)60-52)47-32-40(35-15-5-2-6-16-35)31-38-17-7-8-18-41(38)47/h1-10,12-20,22-33H,11,21H2
InChIKeyGYHXLQVHUVBGDG-UHFFFAOYSA-N
MW769.90 g/mol
LogP14.63
Rot. Bonds6

About 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine

2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 167007473) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID167007473
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESC1=Cc2c(oc3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)cc7ccccc67)c6oc7ccccc7c56)n4)ccc23)CC1
InChIInChI=1S/C55H35N3O2/c1-3-13-34(14-4-1)36-23-25-37(26-24-36)53-56-54(39-27-28-43-42-19-9-11-21-48(42)59-50(43)33-39)58-55(57-53)46-30-29-44(52-51(46)45-20-10-12-22-49(45)60-52)47-32-40(35-15-5-2-6-16-35)31-38-17-7-8-18-41(38)47/h1-10,12-20,22-33H,11,21H2
InChIKeyGYHXLQVHUVBGDG-UHFFFAOYSA-N
XLogP14.63
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 514.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-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-[3-(6,7-dihydrodibenzofuran-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174327481
2-dibenzofuran-1-yl-4-[4-(8,9-dihydronaphtho[2,1-b][1]benzofuran-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170017751
2-(6,7-dihydrodibenzofuran-1-yl)-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407661
2-[4-(5,6-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 167007325
2-dibenzofuran-2-yl-4-[6-(3,4-dihydronaphtho[3,2-b][1]benzofuran-11-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743573
2-naphthalen-2-yl-4-(4-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163627854
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-(7,8-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazine
CID 170009814
2-phenanthren-2-yl-4-phenyl-6-[4-(4-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 166741746
2-dibenzofuran-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139478984
2-phenyl-4,6-bis(9-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775616
2-[3-(7,8-dihydrotriphenylen-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 170219498
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (CID 167007473) is 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is C1=Cc2c(oc3cc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc(-c6cc(-c7ccccc7)cc7ccccc67)c6oc7ccccc7c56)n4)ccc23)CC1.
What is the InChIKey of 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is GYHXLQVHUVBGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-3-13-34(14-4-1)36-23-25-37(26-24-36)53-56-54(39-27-28-43-42-19-9-11-21-48(42)59-50(43)33-39)58-55(57-53)46-30-29-44(52-51(46)45-20-10-12-22-49(45)60-52)47-32-40(35-15-5-2-6-16-35)31-38-17-7-8-18-41(38)47/h1-10,12-20,22-33H,11,21H2.
What are the key properties of 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 769.90 g/mol, XLogP of 14.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydrodibenzofuran-3-yl)-4-[4-(3-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).