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

C47H29N3O — CID 167144229

IUPAC2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5cc6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-14-30(15-5-1)36-24-25-39(38-23-13-12-22-37(36)38)41-27-35(28-42-40-26-33-20-10-11-21-34(33)29-43(40)51-44(41)42)47-49-45(31-16-6-2-7-17-31)48-46(50-47)32-18-8-3-9-19-32/h1-29H
InChIKeyDFSGWMIKWGZPNF-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

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

2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine (PubChem CID 167144229) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
PubChem CID167144229
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5cc6ccccc6cc5c4c3)n2)cc1
InChIInChI=1S/C47H29N3O/c1-4-14-30(15-5-1)36-24-25-39(38-23-13-12-22-37(36)38)41-27-35(28-42-40-26-33-20-10-11-21-34(33)29-43(40)51-44(41)42)47-49-45(31-16-6-2-7-17-31)48-46(50-47)32-18-8-3-9-19-32/h1-29H
InChIKeyDFSGWMIKWGZPNF-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

4,6-diphenyl-2-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]pyrimidine
CID 167424212
4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]-N,N-diphenylaniline
CID 166974736
2-naphthalen-1-yl-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 159485403
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine
CID 167424063
N-[4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-N,3-diphenylaniline
CID 166974730
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
2-[4-[1-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 169294627
2,4-diphenyl-6-[3-phenyl-5-(4-phenyldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 146369018
2-naphtho[2,3-b][1]benzofuran-2-yl-4-(4-phenyldibenzofuran-1-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 170016984
2-phenyl-4-(4-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165043590
2,4-diphenyl-6-[4-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)naphthalen-1-yl]pyrimidine
CID 166975307
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-1-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine;2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-4-yl-6-phenyl-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-2-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-3-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine;2-naphtho[2,3-b][1]benzofuran-4-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 163703326

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine (CID 167144229) is 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc(-c5ccccc5)c5ccccc45)c4oc5cc6ccccc6cc5c4c3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine?
The InChIKey is DFSGWMIKWGZPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-4-14-30(15-5-1)36-24-25-39(38-23-13-12-22-37(36)38)41-27-35(28-42-40-26-33-20-10-11-21-34(33)29-43(40)51-44(41)42)47-49-45(31-16-6-2-7-17-31)48-46(50-47)32-18-8-3-9-19-32/h1-29H.
What are the key properties of 2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine?
2,4-diphenyl-6-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-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-[4-(4-phenylnaphthalen-1-yl)naphtho[2,3-b][1]benzofuran-2-yl]-1,3,5-triazine is sourced from PubChem (CID 167144229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).