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

C49H29N3O — CID 158583534

IUPAC2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H29N3O/c1-2-13-31(14-3-1)47-50-48(34-23-22-30-12-4-5-15-32(30)26-34)52-49(51-47)43-28-35(29-45-46(43)41-20-10-11-21-44(41)53-45)33-24-25-40-38-18-7-6-16-36(38)37-17-8-9-19-39(37)42(40)27-33/h1-29H
InChIKeyHTNSITWQQCTGJE-UHFFFAOYSA-N
MW675.79 g/mol
LogP13.05
Rot. Bonds4

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

2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 158583534) has the molecular formula C49H29N3O and a molecular weight of 675.79 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
PubChem CID158583534
Molecular FormulaC49H29N3O
Molecular Weight675.79 g/mol
Exact Mass675.23
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C49H29N3O/c1-2-13-31(14-3-1)47-50-48(34-23-22-30-12-4-5-15-32(30)26-34)52-49(51-47)43-28-35(29-45-46(43)41-20-10-11-21-44(41)53-45)33-24-25-40-38-18-7-6-16-36(38)37-17-8-9-19-39(37)42(40)27-33/h1-29H
InChIKeyHTNSITWQQCTGJE-UHFFFAOYSA-N
XLogP13.05
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.79
LogP ≤ 513.05
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-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine with MolForge

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Launch Full Analysis

Related Compounds

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-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(3,5-diphenylphenyl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(4-triphenylen-2-ylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158453576
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
2-dibenzofuran-2-yl-4-(3-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 176617094
2-naphthalen-2-yl-4-(3-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 158931089
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-phenyl-4-(3-phenyldibenzofuran-1-yl)-6-(6-phenylphenanthren-3-yl)-1,3,5-triazine
CID 174314684
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
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-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine (CID 158583534) is 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
The InChIKey is HTNSITWQQCTGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O/c1-2-13-31(14-3-1)47-50-48(34-23-22-30-12-4-5-15-32(30)26-34)52-49(51-47)43-28-35(29-45-46(43)41-20-10-11-21-44(41)53-45)33-24-25-40-38-18-7-6-16-36(38)37-17-8-9-19-39(37)42(40)27-33/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 675.79 g/mol, XLogP of 13.05, 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-phenyl-6-(3-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 158583534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).