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

C53H33N3O2 — CID 170145449

IUPAC2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc6ccccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C53H33N3O2/c1-2-12-36-30-37(25-20-32(36)10-1)51-54-52(38-26-27-43-42-15-5-7-18-46(42)57-48(43)31-38)56-53(55-51)45-29-28-41(50-49(45)44-16-6-8-19-47(44)58-50)35-23-21-34(22-24-35)40-17-9-13-33-11-3-4-14-39(33)40/h1-31,52H,(H,54,55,56)
InChIKeyHAZJOYSQHFFNCO-UHFFFAOYSA-N
MW743.87 g/mol
LogP13.62
Rot. Bonds5

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

2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 170145449) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID170145449
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC Name2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc6ccccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C53H33N3O2/c1-2-12-36-30-37(25-20-32(36)10-1)51-54-52(38-26-27-43-42-15-5-7-18-46(42)57-48(43)31-38)56-53(55-51)45-29-28-41(50-49(45)44-16-6-8-19-47(44)58-50)35-23-21-34(22-24-35)40-17-9-13-33-11-3-4-14-39(33)40/h1-31,52H,(H,54,55,56)
InChIKeyHAZJOYSQHFFNCO-UHFFFAOYSA-N
XLogP13.62
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170294237
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
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-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
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-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
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-(4-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-3-yl-2-phenanthren-9-yl-1,2-dihydro-1,3,5-triazine
CID 170290652
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4ccc(-c5ccc(-c6cccc7ccccc67)cc5)c5oc6ccccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is HAZJOYSQHFFNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-12-36-30-37(25-20-32(36)10-1)51-54-52(38-26-27-43-42-15-5-7-18-46(42)57-48(43)31-38)56-53(55-51)45-29-28-41(50-49(45)44-16-6-8-19-47(44)58-50)35-23-21-34(22-24-35)40-17-9-13-33-11-3-4-14-39(33)40/h1-31,52H,(H,54,55,56).
What are the key properties of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 743.87 g/mol, XLogP of 13.62, 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-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170145449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).