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

C55H35N3O2 — CID 170294290

IUPAC2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc(-c5cc(-c6ccccc6)c6ccccc6c5)c5oc6ccccc6c45)=NC(c4ccc5oc6ccccc6c5c4)N3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-3-13-34(14-4-1)35-23-25-37(26-24-35)53-56-54(39-27-30-50-47(32-39)43-19-9-11-21-48(43)59-50)58-55(57-53)45-29-28-42(52-51(45)44-20-10-12-22-49(44)60-52)40-31-38-17-7-8-18-41(38)46(33-40)36-15-5-2-6-16-36/h1-33,54H,(H,56,57,58)
InChIKeyQDZROFREANHKEJ-UHFFFAOYSA-N
MW769.90 g/mol
LogP14.14
Rot. Bonds6

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

2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 170294290) has the molecular formula C55H35N3O2 and a molecular weight of 769.90 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID170294290
Molecular FormulaC55H35N3O2
Molecular Weight769.90 g/mol
Exact Mass769.27
IUPAC Name2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc(-c5cc(-c6ccccc6)c6ccccc6c5)c5oc6ccccc6c45)=NC(c4ccc5oc6ccccc6c5c4)N3)cc2)cc1
InChIInChI=1S/C55H35N3O2/c1-3-13-34(14-4-1)35-23-25-37(26-24-35)53-56-54(39-27-30-50-47(32-39)43-19-9-11-21-48(43)59-50)58-55(57-53)45-29-28-42(52-51(45)44-20-10-12-22-49(44)60-52)40-31-38-17-7-8-18-41(38)46(33-40)36-15-5-2-6-16-36/h1-33,54H,(H,56,57,58)
InChIKeyQDZROFREANHKEJ-UHFFFAOYSA-N
XLogP14.14
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 514.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-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-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
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-(3-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030334
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
5-[4-(2-dibenzofuran-2-yl-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazin-4-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166700234
4-(3-naphtho[1,2-b][1]benzofuran-5-yldibenzofuran-1-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170248755
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccc(-c5cc(-c6ccccc6)c6ccccc6c5)c5oc6ccccc6c45)=NC(c4ccc5oc6ccccc6c5c4)N3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is QDZROFREANHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O2/c1-3-13-34(14-4-1)35-23-25-37(26-24-35)53-56-54(39-27-30-50-47(32-39)43-19-9-11-21-48(43)59-50)58-55(57-53)45-29-28-42(52-51(45)44-20-10-12-22-49(44)60-52)40-31-38-17-7-8-18-41(38)46(33-40)36-15-5-2-6-16-36/h1-33,54H,(H,56,57,58).
What are the key properties of 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 769.90 g/mol, XLogP of 14.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170294290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).