2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine

C51H31N3O2 — CID 166961195

IUPAC2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)N=C(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-10-30(11-3-1)49-52-50(33-20-24-41-40-16-8-9-17-45(40)55-47(41)28-33)54-51(53-49)34-21-25-43-42-23-19-32(27-46(42)56-48(43)29-34)31-18-22-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)44(39)26-31/h1-29,51H,(H,52,53,54)
InChIKeyWXQDYHMYZDLHMR-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.11
Rot. Bonds4

About 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine

2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 166961195) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID166961195
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)oc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)N=C(c3ccc4c(c3)oc3ccccc34)N2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-10-30(11-3-1)49-52-50(33-20-24-41-40-16-8-9-17-45(40)55-47(41)28-33)54-51(53-49)34-21-25-43-42-23-19-32(27-46(42)56-48(43)29-34)31-18-22-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)44(39)26-31/h1-29,51H,(H,52,53,54)
InChIKeyWXQDYHMYZDLHMR-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

4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
2-dibenzothiophen-3-yl-6-phenyl-4-(6-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 146407770
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170246810
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 167402276
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine (CID 166961195) is 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)oc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)N=C(c3ccc4c(c3)oc3ccccc34)N2)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is WXQDYHMYZDLHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-10-30(11-3-1)49-52-50(33-20-24-41-40-16-8-9-17-45(40)55-47(41)28-33)54-51(53-49)34-21-25-43-42-23-19-32(27-46(42)56-48(43)29-34)31-18-22-39-37-14-5-4-12-35(37)36-13-6-7-15-38(36)44(39)26-31/h1-29,51H,(H,52,53,54).
What are the key properties of 2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine?
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-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-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).