11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine

C53H34N4O — CID 167363460

IUPAC11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-37(17-5-1)51-54-52(38-18-6-2-7-19-38)56-53(55-51)45-25-14-26-47-50(45)49-44-24-13-12-23-43(44)46(34-48(49)58-47)57(41-21-8-3-9-22-41)42-31-29-36(30-32-42)40-28-27-35-15-10-11-20-39(35)33-40/h1-34H
InChIKeyUCRKXKUWLTVHMO-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.22
Rot. Bonds7

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine (PubChem CID 167363460) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
PubChem CID167363460
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6c5c34)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-37(17-5-1)51-54-52(38-18-6-2-7-19-38)56-53(55-51)45-25-14-26-47-50(45)49-44-24-13-12-23-43(44)46(34-48(49)58-47)57(41-21-8-3-9-22-41)42-31-29-36(30-32-42)40-28-27-35-15-10-11-20-39(35)33-40/h1-34H
InChIKeyUCRKXKUWLTVHMO-UHFFFAOYSA-N
XLogP14.22
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.88
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine with MolForge

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Related Compounds

11-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-diphenylnaphtho[2,1-b][1]benzofuran-5-amine
CID 167363481
2-dibenzofuran-1-yl-4-[5-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-6-phenyl-1,3,5-triazine
CID 176844554
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[11-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 164979443
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
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
2-dibenzofuran-1-yl-4-(4-naphthalen-2-ylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741628
N-phenyl-5-(6-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-11-amine
CID 176808370
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine?
The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine (CID 167363460) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine.
What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine?
The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6ccccc6)c6ccc(-c7ccc8ccccc8c7)cc6)c6ccccc6c5c34)n2)cc1.
What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine?
The InChIKey is UCRKXKUWLTVHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-4-16-37(17-5-1)51-54-52(38-18-6-2-7-19-38)56-53(55-51)45-25-14-26-47-50(45)49-44-24-13-12-23-43(44)46(34-48(49)58-47)57(41-21-8-3-9-22-41)42-31-29-36(30-32-42)40-28-27-35-15-10-11-20-39(35)33-40/h1-34H.
What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine?
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine has a molecular weight of 742.88 g/mol, XLogP of 14.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[2,1-b][1]benzofuran-5-amine is sourced from PubChem (CID 167363460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).