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

C51H31N3O2 — CID 170294238

IUPAC2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2c(-c3cc(C4=NC(c5cccc6oc7ccccc7c56)NC(c5ccc6c(ccc7ccccc76)c5)=N4)c4c(c3)oc3ccccc34)cccc2c1
InChIInChI=1S/C51H31N3O2/c1-3-14-35-30(11-1)13-9-18-37(35)34-28-42(48-40-17-6-8-21-44(40)56-46(48)29-34)51-53-49(33-25-26-38-32(27-33)24-23-31-12-2-4-15-36(31)38)52-50(54-51)41-19-10-22-45-47(41)39-16-5-7-20-43(39)55-45/h1-29,50H,(H,52,53,54)
InChIKeyHWTFEBBYHXTLOG-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.11
Rot. Bonds4

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

2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine (PubChem CID 170294238) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
PubChem CID170294238
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc2c(-c3cc(C4=NC(c5cccc6oc7ccccc7c56)NC(c5ccc6c(ccc7ccccc76)c5)=N4)c4c(c3)oc3ccccc34)cccc2c1
InChIInChI=1S/C51H31N3O2/c1-3-14-35-30(11-1)13-9-18-37(35)34-28-42(48-40-17-6-8-21-44(40)56-46(48)29-34)51-53-49(33-25-26-38-32(27-33)24-23-31-12-2-4-15-36(31)38)52-50(54-51)41-19-10-22-45-47(41)39-16-5-7-20-43(39)55-45/h1-29,50H,(H,52,53,54)
InChIKeyHWTFEBBYHXTLOG-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-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
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-naphthalen-2-yl-6-phenanthren-2-yl-2-[4-(7-phenanthren-9-yldibenzofuran-1-yl)naphthalen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 167029446
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633
4-[4-(3-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167029619
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
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
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
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-6-naphthalen-2-yl-4-[4-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 170145449

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine (CID 170294238) is 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine is c1ccc2c(-c3cc(C4=NC(c5cccc6oc7ccccc7c56)NC(c5ccc6c(ccc7ccccc76)c5)=N4)c4c(c3)oc3ccccc34)cccc2c1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine?
The InChIKey is HWTFEBBYHXTLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-14-35-30(11-1)13-9-18-37(35)34-28-42(48-40-17-6-8-21-44(40)56-46(48)29-34)51-53-49(33-25-26-38-32(27-33)24-23-31-12-2-4-15-36(31)38)52-50(54-51)41-19-10-22-45-47(41)39-16-5-7-20-43(39)55-45/h1-29,50H,(H,52,53,54).
What are the key properties of 2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-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-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170294238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).