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

C55H36N4O — CID 167556032

IUPACN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-5-16-37(17-6-1)38-28-32-43(33-29-38)59(42-22-11-4-12-23-42)44-34-30-39(31-35-44)48-36-49-51-47(26-15-27-50(51)60-52(49)46-25-14-13-24-45(46)48)55-57-53(40-18-7-2-8-19-40)56-54(58-55)41-20-9-3-10-21-41/h1-36H
InChIKeyAPFLBGIOMLJSQL-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.73
Rot. Bonds8

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

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline (PubChem CID 167556032) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
PubChem CID167556032
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC NameN-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)c5ccccc45)cc3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-5-16-37(17-6-1)38-28-32-43(33-29-38)59(42-22-11-4-12-23-42)44-34-30-39(31-35-44)48-36-49-51-47(26-15-27-50(51)60-52(49)46-25-14-13-24-45(46)48)55-57-53(40-18-7-2-8-19-40)56-54(58-55)41-20-9-3-10-21-41/h1-36H
InChIKeyAPFLBGIOMLJSQL-UHFFFAOYSA-N
XLogP14.73
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.92
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline
CID 166975163
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818745
2-[4-[5-(3,5-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818532
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;4-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]-N,N-diphenylaniline;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 167690264
2-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 176818468
2,4-diphenyl-6-[4-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]-1,3,5-triazine
CID 164834896
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
2-naphthalen-2-yl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176817611
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 155423361
N-phenyl-5-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 155423541
2-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164835046

Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline (CID 167556032) is N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c65)c5ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is APFLBGIOMLJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-5-16-37(17-6-1)38-28-32-43(33-29-38)59(42-22-11-4-12-23-42)44-34-30-39(31-35-44)48-36-49-51-47(26-15-27-50(51)60-52(49)46-25-14-13-24-45(46)48)55-57-53(40-18-7-2-8-19-40)56-54(58-55)41-20-9-3-10-21-41/h1-36H.
What are the key properties of N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline?
N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 768.92 g/mol, XLogP of 14.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 167556032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).