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

C47H29N3O — CID 129101219

IUPAC2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)43-35-18-8-7-13-30(35)27-28-36(43)31-23-25-32(26-24-31)40-29-41-38-20-11-12-22-42(38)51-44(41)39-21-10-9-19-37(39)40/h1-29H
InChIKeyGLVKTZBSTKGPRF-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 129101219) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID129101219
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)43-35-18-8-7-13-30(35)27-28-36(43)31-23-25-32(26-24-31)40-29-41-38-20-11-12-22-42(38)51-44(41)39-21-10-9-19-37(39)40/h1-29H
InChIKeyGLVKTZBSTKGPRF-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-dibenzofuran-4-yl-4-(2-phenylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481167
2-(2-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 129099084
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(4-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442228
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155481175
2,4-diphenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853604
2-dibenzofuran-4-yl-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375
2-dibenzofuran-4-yl-4-phenyl-6-[4-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139442227
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481342
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-4-yl-4-[2-[3-[4-[4-dibenzofuran-4-yl-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-3-naphthalen-1-ylnaphthalen-1-yl]phenyl]naphthalen-1-yl]-6-(2-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 155481155
2-dibenzofuran-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 129101219) is 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccc(-c5cc6c7ccccc7oc6c6ccccc56)cc4)ccc4ccccc34)n2)cc1.
What is the InChIKey of 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is GLVKTZBSTKGPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-14-33(15-4-1)45-48-46(34-16-5-2-6-17-34)50-47(49-45)43-35-18-8-7-13-30(35)27-28-36(43)31-23-25-32(26-24-31)40-29-41-38-20-11-12-22-42(38)51-44(41)39-21-10-9-19-37(39)40/h1-29H.
What are the key properties of 2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-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-[2-(4-naphtho[1,2-b][1]benzofuran-5-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 129101219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).