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

C47H29N3O — CID 167143677

IUPAC2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c6ccccc6c(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-33(13-4-1)45-48-46(34-14-5-2-6-15-34)50-47(49-45)37-25-26-43-41(28-37)42-29-40(38-17-9-10-18-39(38)44(42)51-43)32-22-19-31(20-23-32)36-24-21-30-11-7-8-16-35(30)27-36/h1-29H
InChIKeyLMEBHOZCCYYNIE-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 167143677) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID167143677
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c6ccccc6c(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-3-12-33(13-4-1)45-48-46(34-14-5-2-6-15-34)50-47(49-45)37-25-26-43-41(28-37)42-29-40(38-17-9-10-18-39(38)44(42)51-43)32-22-19-31(20-23-32)36-24-21-30-11-7-8-16-35(30)27-36/h1-29H
InChIKeyLMEBHOZCCYYNIE-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-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-8-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176817731
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-(8-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818440
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-3-yl-4-naphthalen-2-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)-1,3,5-triazine
CID 167402325
2-dibenzofuran-3-yl-4-phenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176817775
2,4-diphenyl-6-[4-(8-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164834906
2-[5-[4-(4-isocyanophenyl)phenyl]naphtho[1,2-b][1]benzofuran-8-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 176817809
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-dibenzofuran-2-yl-4-phenyl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 169048833
2,4-diphenyl-6-[3-[8-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 164835332
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-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine (CID 167143677) is 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c6ccccc6c(-c6ccc(-c7ccc8ccccc8c7)cc6)cc5c4c3)n2)cc1.
What is the InChIKey of 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is LMEBHOZCCYYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-33(13-4-1)45-48-46(34-14-5-2-6-15-34)50-47(49-45)37-25-26-43-41(28-37)42-29-40(38-17-9-10-18-39(38)44(42)51-43)32-22-19-31(20-23-32)36-24-21-30-11-7-8-16-35(30)27-36/h1-29H.
What are the key properties of 2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine?
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-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-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 167143677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).