4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline

C44H26N4O — CID 166502460

IUPAC4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc5ccccc5c4)c4oc5nc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-2-12-29(13-3-1)41-46-42(34-21-19-28-11-5-7-15-31(28)25-34)48-43(47-41)36-23-22-35(32-20-18-27-10-4-6-14-30(27)24-32)40-39(36)37-26-33-16-8-9-17-38(33)45-44(37)49-40/h1-26H
InChIKeyCZPNNNGUPVSEMP-UHFFFAOYSA-N
MW626.72 g/mol
LogP11.29
Rot. Bonds4

About 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline

4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline (PubChem CID 166502460) has the molecular formula C44H26N4O and a molecular weight of 626.72 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline.

Molecular Properties

Compound Name4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline
PubChem CID166502460
Molecular FormulaC44H26N4O
Molecular Weight626.72 g/mol
Exact Mass626.21
IUPAC Name4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc5ccccc5c4)c4oc5nc6ccccc6cc5c34)n2)cc1
InChIInChI=1S/C44H26N4O/c1-2-12-29(13-3-1)41-46-42(34-21-19-28-11-5-7-15-31(28)25-34)48-43(47-41)36-23-22-35(32-20-18-27-10-4-6-14-30(27)24-32)40-39(36)37-26-33-16-8-9-17-38(33)45-44(37)49-40/h1-26H
InChIKeyCZPNNNGUPVSEMP-UHFFFAOYSA-N
XLogP11.29
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502415
8-naphthalen-2-yl-5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 166801432
2,4-dinaphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 165026780
2-chrysen-2-yl-4-(4-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 167403122
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
2-naphthalen-2-yl-4-phenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)phenyl]-1,3,5-triazine
CID 166867460
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
1-[5-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502729
1-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-b]quinoline
CID 166502742
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
2-(3,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine
CID 171754779

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline?
The IUPAC name of 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline (CID 166502460) is 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline.
What is the SMILES notation for 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline?
The canonical SMILES for 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc5ccccc5c4)c4oc5nc6ccccc6cc5c34)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline?
The InChIKey is CZPNNNGUPVSEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N4O/c1-2-12-29(13-3-1)41-46-42(34-21-19-28-11-5-7-15-31(28)25-34)48-43(47-41)36-23-22-35(32-20-18-27-10-4-6-14-30(27)24-32)40-39(36)37-26-33-16-8-9-17-38(33)45-44(37)49-40/h1-26H.
What are the key properties of 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline?
4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline has a molecular weight of 626.72 g/mol, XLogP of 11.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[2,3-b]quinoline is sourced from PubChem (CID 166502460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).