2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine

C47H29N3O — CID 169048809

IUPAC2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4ccc5oc6c7ccccc7c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5c4)cccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-13-30(14-5-1)33-23-25-37-34(27-33)19-12-22-36(37)35-24-26-43-40(28-35)41-29-42(38-20-10-11-21-39(38)44(41)51-43)47-49-45(31-15-6-2-7-16-31)48-46(50-47)32-17-8-3-9-18-32/h1-29H
InChIKeyZARRUHPKPCZJBQ-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine

2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine (PubChem CID 169048809) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
PubChem CID169048809
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(-c4ccc5oc6c7ccccc7c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5c4)cccc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-4-13-30(14-5-1)33-23-25-37-34(27-33)19-12-22-36(37)35-24-26-43-40(28-35)41-29-42(38-20-10-11-21-39(38)44(41)51-43)47-49-45(31-15-6-2-7-16-31)48-46(50-47)32-17-8-3-9-18-32/h1-29H
InChIKeyZARRUHPKPCZJBQ-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-[8-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143605
2-[4-[4-(8-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164835026
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
2-[9-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-4,6-diphenyl-1,3,5-triazine
CID 169048797
2-[4-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164834936
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-dibenzofuran-4-yl-4-phenyl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853479
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176853852
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine (CID 169048809) is 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine is c1ccc(-c2ccc3c(-c4ccc5oc6c7ccccc7c(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6c5c4)cccc3c2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
The InChIKey is ZARRUHPKPCZJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-13-30(14-5-1)33-23-25-37-34(27-33)19-12-22-36(37)35-24-26-43-40(28-35)41-29-42(38-20-10-11-21-39(38)44(41)51-43)47-49-45(31-15-6-2-7-16-31)48-46(50-47)32-17-8-3-9-18-32/h1-29H.
What are the key properties of 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-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 2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine is sourced from PubChem (CID 169048809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).