2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine

C53H31N3O — CID 170213573

IUPAC2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)n2)cc1
InChIInChI=1S/C53H31N3O/c1-2-14-33(15-3-1)51-54-52(37-26-25-32-13-4-5-16-34(32)29-37)56-53(55-51)45-24-12-23-44-47-30-35-17-6-7-18-38(35)48(50(47)57-49(44)45)36-27-28-43-41-21-9-8-19-39(41)40-20-10-11-22-42(40)46(43)31-36/h1-31H
InChIKeyWCGTVAWBWADWOU-UHFFFAOYSA-N
MW725.85 g/mol
LogP14.20
Rot. Bonds4

About 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine (PubChem CID 170213573) has the molecular formula C53H31N3O and a molecular weight of 725.85 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
PubChem CID170213573
Molecular FormulaC53H31N3O
Molecular Weight725.85 g/mol
Exact Mass725.25
IUPAC Name2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)n2)cc1
InChIInChI=1S/C53H31N3O/c1-2-14-33(15-3-1)51-54-52(37-26-25-32-13-4-5-16-34(32)29-37)56-53(55-51)45-24-12-23-44-47-30-35-17-6-7-18-38(35)48(50(47)57-49(44)45)36-27-28-43-41-21-9-8-19-39(41)40-20-10-11-22-42(40)46(43)31-36/h1-31H
InChIKeyWCGTVAWBWADWOU-UHFFFAOYSA-N
XLogP14.20
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.85
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-diphenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213535
2,4-dinaphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170212090
2-(6-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213533
2,4-diphenyl-6-[4-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-1,3,5-triazine
CID 176755150
2-phenyl-4-(1-phenylnaphthalen-2-yl)-6-(6-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 170213625
2-(6-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 170213532
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 170213203
2,4-dinaphthalen-2-yl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 176817925
2-naphthalen-2-yl-4-phenyl-6-[6-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 170211717
2,4-dinaphthalen-2-yl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212995
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(6-phenylnaphtho[2,3-b][1]benzofuran-2-yl)-1,3,5-triazine
CID 170213283
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine (CID 170213573) is 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7c7ccccc7c6c5)c5ccccc5cc34)n2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
The InChIKey is WCGTVAWBWADWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3O/c1-2-14-33(15-3-1)51-54-52(37-26-25-32-13-4-5-16-34(32)29-37)56-53(55-51)45-24-12-23-44-47-30-35-17-6-7-18-38(35)48(50(47)57-49(44)45)36-27-28-43-41-21-9-8-19-39(41)40-20-10-11-22-42(40)46(43)31-36/h1-31H.
What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-phenyl-6-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine has a molecular weight of 725.85 g/mol, XLogP of 14.20, 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-(6-triphenylen-2-ylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine is sourced from PubChem (CID 170213573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).