4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline

C53H34N4O — CID 156553824

IUPAC4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3oc3c5ccccc5ccc34)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-38(17-5-1)51-54-52(40-25-24-35-14-10-11-18-39(35)34-40)56-53(55-51)47-33-32-44(48-46-31-28-36-15-12-13-23-45(36)49(46)58-50(47)48)37-26-29-43(30-27-37)57(41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-34H
InChIKeyJTQJYRMSIQUIMI-UHFFFAOYSA-N
MW742.88 g/mol
LogP14.22
Rot. Bonds7

About 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline

4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline (PubChem CID 156553824) has the molecular formula C53H34N4O and a molecular weight of 742.88 g/mol. Its IUPAC name is 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
PubChem CID156553824
Molecular FormulaC53H34N4O
Molecular Weight742.88 g/mol
Exact Mass742.27
IUPAC Name4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3oc3c5ccccc5ccc34)n2)cc1
InChIInChI=1S/C53H34N4O/c1-4-16-38(17-5-1)51-54-52(40-25-24-35-14-10-11-18-39(35)34-40)56-53(55-51)47-33-32-44(48-46-31-28-36-15-12-13-23-45(36)49(46)58-50(47)48)37-26-29-43(30-27-37)57(41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-34H
InChIKeyJTQJYRMSIQUIMI-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 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-1-yl-4-naphthalen-2-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754578
4-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170243095
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(10-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 171754633
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 171757161
2-[4-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 167424183
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
2,4-bis(4-methylphenyl)-6-[7-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-10-yl]-1,3,5-triazine
CID 169280939
2-naphthalen-2-yl-4-phenyl-6-(1-phenylnaphtho[2,3-b][1]benzofuran-4-yl)-1,3,5-triazine
CID 174245007
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167331254
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 166974983
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyl-7-(7-phenylnaphthalen-2-yl)naphthalen-2-amine
CID 174258690
2-[11-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 166867385

Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline (CID 156553824) is 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)cc4)c4c3oc3c5ccccc5ccc34)n2)cc1.
What is the InChIKey of 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline?
The InChIKey is JTQJYRMSIQUIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N4O/c1-4-16-38(17-5-1)51-54-52(40-25-24-35-14-10-11-18-39(35)34-40)56-53(55-51)47-33-32-44(48-46-31-28-36-15-12-13-23-45(36)49(46)58-50(47)48)37-26-29-43(30-27-37)57(41-19-6-2-7-20-41)42-21-8-3-9-22-42/h1-34H.
What are the key properties of 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline?
4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline 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 4-[10-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]-N,N-diphenylaniline is sourced from PubChem (CID 156553824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).