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

C47H29N3O — CID 176853985

IUPAC2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5c6ccccc6oc5c5c(-c6ccccc6)cccc45)n3)cc2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)32-22-25-34(26-23-32)45-48-46(36-27-24-31-14-7-8-17-35(31)28-36)50-47(49-45)41-29-40-38-18-9-10-21-42(38)51-44(40)43-37(19-11-20-39(41)43)33-15-5-2-6-16-33/h1-29H
InChIKeyWNCDTXJAMUBXSH-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176853985) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176853985
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5c6ccccc6oc5c5c(-c6ccccc6)cccc45)n3)cc2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-30(13-4-1)32-22-25-34(26-23-32)45-48-46(36-27-24-31-14-7-8-17-35(31)28-36)50-47(49-45)41-29-40-38-18-9-10-21-42(38)51-44(40)43-37(19-11-20-39(41)43)33-15-5-2-6-16-33/h1-29H
InChIKeyWNCDTXJAMUBXSH-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-naphthalen-2-ylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853545
2-phenyl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176853882
2-(3,5-diphenylphenyl)-4-phenyl-6-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 176853741
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
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-naphthalen-2-yl-4-(4-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 176853576
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742525
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
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-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 176853985) is 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cc5c6ccccc6oc5c5c(-c6ccccc6)cccc45)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is WNCDTXJAMUBXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-30(13-4-1)32-22-25-34(26-23-32)45-48-46(36-27-24-31-14-7-8-17-35(31)28-36)50-47(49-45)41-29-40-38-18-9-10-21-42(38)51-44(40)43-37(19-11-20-39(41)43)33-15-5-2-6-16-33/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-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-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176853985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).