2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine

C47H29N3O — CID 169048797

IUPAC2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-31(15-4-1)45-48-46(32-16-5-2-6-17-32)50-47(49-45)42-29-41-39-26-25-34(28-43(39)51-44(41)40-23-10-9-22-38(40)42)33-19-11-20-35(27-33)37-24-12-18-30-13-7-8-21-36(30)37/h1-29H
InChIKeyPCUCNXDJTXUQME-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine

2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 169048797) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID169048797
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5oc4c4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-31(15-4-1)45-48-46(32-16-5-2-6-17-32)50-47(49-45)42-29-41-39-26-25-34(28-43(39)51-44(41)40-23-10-9-22-38(40)42)33-19-11-20-35(27-33)37-24-12-18-30-13-7-8-21-36(30)37/h1-29H
InChIKeyPCUCNXDJTXUQME-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 176818283
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 176817695
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 169048809
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818458
2-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143605
2-naphthalen-2-yl-4-(2-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)-6-phenyl-1,3,5-triazine
CID 176853463
2,4-diphenyl-6-[7-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 166953095
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-phenyl-4-(3-phenylphenyl)-6-[4-(5-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 164834752
2-dibenzofuran-1-yl-4-naphthalen-1-yl-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176818146

Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine (CID 169048797) is 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccc(-c6cccc(-c7cccc8ccccc78)c6)cc5oc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PCUCNXDJTXUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-31(15-4-1)45-48-46(32-16-5-2-6-17-32)50-47(49-45)42-29-41-39-26-25-34(28-43(39)51-44(41)40-23-10-9-22-38(40)42)33-19-11-20-35(27-33)37-24-12-18-30-13-7-8-21-36(30)37/h1-29H.
What are the key properties of 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine?
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 169048797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).