5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline

C48H28N4O — CID 174288323

IUPAC5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline
SMILESc1ccc(-c2nc(-c3ccc4cc5oc6ccccc6c5cc4c3)nc(-c3ccccc3-c3cc4ccccc4c4ccc5ncccc5c34)n2)cc1
InChIInChI=1S/C48H28N4O/c1-2-11-29(12-3-1)46-50-47(32-21-20-30-28-44-40(27-33(30)25-32)36-16-8-9-19-43(36)53-44)52-48(51-46)38-17-7-6-15-35(38)41-26-31-13-4-5-14-34(31)37-22-23-42-39(45(37)41)18-10-24-49-42/h1-28H
InChIKeyMCERPLGKCDWMJS-UHFFFAOYSA-N
MW676.78 g/mol
LogP12.45
Rot. Bonds4

About 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline

5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline (PubChem CID 174288323) has the molecular formula C48H28N4O and a molecular weight of 676.78 g/mol. Its IUPAC name is 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline.

Molecular Properties

Compound Name5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline
PubChem CID174288323
Molecular FormulaC48H28N4O
Molecular Weight676.78 g/mol
Exact Mass676.23
IUPAC Name5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline
SMILESc1ccc(-c2nc(-c3ccc4cc5oc6ccccc6c5cc4c3)nc(-c3ccccc3-c3cc4ccccc4c4ccc5ncccc5c34)n2)cc1
InChIInChI=1S/C48H28N4O/c1-2-11-29(12-3-1)46-50-47(32-21-20-30-28-44-40(27-33(30)25-32)36-16-8-9-19-43(36)53-44)52-48(51-46)38-17-7-6-15-35(38)41-26-31-13-4-5-14-34(31)37-22-23-42-39(45(37)41)18-10-24-49-42/h1-28H
InChIKeyMCERPLGKCDWMJS-UHFFFAOYSA-N
XLogP12.45
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.78
LogP ≤ 512.45
H-Bond Donors ≤ 50
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-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-9-yl-6-(7-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 174198668
2-(9-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316224
2-naphthalen-2-yl-4-(9-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 174316229
2-naphtho[3,2-b][1]benzofuran-8-yl-4-phenanthren-3-yl-6-(5-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174208468
10-[2-(4-naphtho[1,2-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline
CID 174288227
5-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-ylphenyl]quinoline
CID 154949982
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenyl-1,3,5-triazine
CID 174198298
10-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166502514
2-dibenzofuran-1-yl-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 163727437
2-naphthalen-2-yl-4-(9-phenanthren-9-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316100
2-(7-naphthalen-2-yldibenzofuran-1-yl)-4-naphtho[3,2-b][1]benzofuran-8-yl-6-phenanthren-2-yl-1,3,5-triazine
CID 174198624

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline?
The IUPAC name of 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline (CID 174288323) is 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline.
What is the SMILES notation for 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline?
The canonical SMILES for 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline is c1ccc(-c2nc(-c3ccc4cc5oc6ccccc6c5cc4c3)nc(-c3ccccc3-c3cc4ccccc4c4ccc5ncccc5c34)n2)cc1.
What is the InChIKey of 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline?
The InChIKey is MCERPLGKCDWMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O/c1-2-11-29(12-3-1)46-50-47(32-21-20-30-28-44-40(27-33(30)25-32)36-16-8-9-19-43(36)53-44)52-48(51-46)38-17-7-6-15-35(38)41-26-31-13-4-5-14-34(31)37-22-23-42-39(45(37)41)18-10-24-49-42/h1-28H.
What are the key properties of 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline?
5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline has a molecular weight of 676.78 g/mol, XLogP of 12.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-naphtho[2,3-b][1]benzofuran-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]naphtho[2,1-f]quinoline is sourced from PubChem (CID 174288323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).