2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine

C51H31N3O2 — CID 170294237

IUPAC2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cccc5oc6c(-c7cc8ccccc8c8ccccc78)cccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C51H31N3O2/c1-2-12-31-27-33(24-23-30(31)11-1)49-52-50(34-25-26-39-38-17-7-8-21-44(38)55-46(39)29-34)54-51(53-49)42-20-10-22-45-47(42)41-19-9-18-40(48(41)56-45)43-28-32-13-3-4-14-35(32)36-15-5-6-16-37(36)43/h1-29,50H,(H,52,53,54)
InChIKeyBUTVNWGCXATQMZ-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine

2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine (PubChem CID 170294237) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
PubChem CID170294237
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2cc(C3=NC(c4cccc5oc6c(-c7cc8ccccc8c8ccccc78)cccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1
InChIInChI=1S/C51H31N3O2/c1-2-12-31-27-33(24-23-30(31)11-1)49-52-50(34-25-26-39-38-17-7-8-21-44(38)55-46(39)29-34)54-51(53-49)42-20-10-22-45-47(42)41-19-9-18-40(48(41)56-45)43-28-32-13-3-4-14-35(32)36-15-5-6-16-37(36)43/h1-29,50H,(H,52,53,54)
InChIKeyBUTVNWGCXATQMZ-UHFFFAOYSA-N
XLogP13.11
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
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-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
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-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-7-phenanthren-9-yl-[1]benzofuro[2,3-c]pyridine
CID 166801524
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-9-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029846
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-phenanthren-3-yl-2-phenanthren-9-yl-1,2-dihydro-1,3,5-triazine
CID 170290652

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine (CID 170294237) is 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine is c1ccc2cc(C3=NC(c4cccc5oc6c(-c7cc8ccccc8c8ccccc78)cccc6c45)=NC(c4ccc5c(c4)oc4ccccc45)N3)ccc2c1.
What is the InChIKey of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is BUTVNWGCXATQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-12-31-27-33(24-23-30(31)11-1)49-52-50(34-25-26-39-38-17-7-8-21-44(38)55-46(39)29-34)54-51(53-49)42-20-10-22-45-47(42)41-19-9-18-40(48(41)56-45)43-28-32-13-3-4-14-35(32)36-15-5-6-16-37(36)43/h1-29,50H,(H,52,53,54).
What are the key properties of 2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.11, 4 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-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170294237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).