2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C47H29N3O — CID 176818440

IUPAC2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6cc(-c7ccc8ccccc8c7)ccc6oc5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)34-18-11-19-37(27-34)46-48-45(32-15-5-2-6-16-32)49-47(50-46)42-29-41-40-28-36(35-23-22-31-14-7-8-17-33(31)26-35)24-25-43(40)51-44(41)39-21-10-9-20-38(39)42/h1-29H
InChIKeyBDLFGOKOCDCTBM-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 176818440) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID176818440
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6cc(-c7ccc8ccccc8c7)ccc6oc5c5ccccc45)n3)c2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)34-18-11-19-37(27-34)46-48-45(32-15-5-2-6-16-32)49-47(50-46)42-29-41-40-28-36(35-23-22-31-14-7-8-17-33(31)26-35)24-25-43(40)51-44(41)39-21-10-9-20-38(39)42/h1-29H
InChIKeyBDLFGOKOCDCTBM-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-[3-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164834936
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
2,4-diphenyl-6-[8-(6-phenylnaphthalen-1-yl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 169048809
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-(6-phenylnaphthalen-2-yl)-6-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 167143642
2-phenyl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176853852
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853511
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
bis(2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);bis(2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine);2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159519330
2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176853677

Frequently Asked Questions

What is the IUPAC name of 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 176818440) is 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cc5c6cc(-c7ccc8ccccc8c7)ccc6oc5c5ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is BDLFGOKOCDCTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-30(13-4-1)34-18-11-19-37(27-34)46-48-45(32-15-5-2-6-16-32)49-47(50-46)42-29-41-40-28-36(35-23-22-31-14-7-8-17-33(31)26-35)24-25-43(40)51-44(41)39-21-10-9-20-38(39)42/h1-29H.
What are the key properties of 2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-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-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176818440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).