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

C45H27N3O — CID 158931089

IUPAC2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-29(14-3-1)43-46-44(32-23-22-28-12-4-5-15-30(28)24-32)48-45(47-43)39-26-33(27-41-42(39)37-20-10-11-21-40(37)49-41)38-25-31-16-6-7-17-34(31)35-18-8-9-19-36(35)38/h1-27H
InChIKeyJJBHXNDRXSDDHU-UHFFFAOYSA-N
MW625.73 g/mol
LogP11.90
Rot. Bonds4

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

2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 158931089) has the molecular formula C45H27N3O and a molecular weight of 625.73 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID158931089
Molecular FormulaC45H27N3O
Molecular Weight625.73 g/mol
Exact Mass625.22
IUPAC Name2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C45H27N3O/c1-2-13-29(14-3-1)43-46-44(32-23-22-28-12-4-5-15-30(28)24-32)48-45(47-43)39-26-33(27-41-42(39)37-20-10-11-21-40(37)49-41)38-25-31-16-6-7-17-34(31)35-18-8-9-19-36(35)38/h1-27H
InChIKeyJJBHXNDRXSDDHU-UHFFFAOYSA-N
XLogP11.90
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.73
LogP ≤ 511.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 158583534
2-dibenzofuran-3-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742821
2-(3-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742618
2-(3-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742355
2-(3-dibenzofuran-4-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 170363777
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
2,4-di(phenanthren-9-yl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742560
2-dibenzofuran-1-yl-4-(1-naphthalen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 177130847
2-chrysen-2-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174259613
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2-dibenzofuran-2-yl-4-(3-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 176617094
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 158931089) is 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4cc5ccccc5c5ccccc45)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is JJBHXNDRXSDDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O/c1-2-13-29(14-3-1)43-46-44(32-23-22-28-12-4-5-15-30(28)24-32)48-45(47-43)39-26-33(27-41-42(39)37-20-10-11-21-40(37)49-41)38-25-31-16-6-7-17-34(31)35-18-8-9-19-36(35)38/h1-27H.
What are the key properties of 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?
2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 625.73 g/mol, XLogP of 11.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 158931089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).