N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline

C55H36N4O — CID 156554104

IUPACN-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-5-15-37(16-6-1)38-25-30-45(31-26-38)59(44-22-11-4-12-23-44)46-32-27-39(28-33-46)43-35-48(52-50(36-43)60-49-34-29-40-17-13-14-24-47(40)51(49)52)55-57-53(41-18-7-2-8-19-41)56-54(58-55)42-20-9-3-10-21-42/h1-36H
InChIKeyAJCGWPMMTJEETB-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.73
Rot. Bonds8

About N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline

N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline (PubChem CID 156554104) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
PubChem CID156554104
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC NameN-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C55H36N4O/c1-5-15-37(16-6-1)38-25-30-45(31-26-38)59(44-22-11-4-12-23-44)46-32-27-39(28-33-46)43-35-48(52-50(36-43)60-49-34-29-40-17-13-14-24-47(40)51(49)52)55-57-53(41-18-7-2-8-19-41)56-54(58-55)42-20-9-3-10-21-42/h1-36H
InChIKeyAJCGWPMMTJEETB-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

2-(9-phenylnaphtho[2,1-b][1]benzofuran-11-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177130834
2-[9-(4-dibenzofuran-3-ylphenyl)naphtho[2,1-b][1]benzofuran-11-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 167424104
N-[4-[1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 170093258
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 166867397
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-bis(4-phenylphenyl)aniline
CID 154938698
N-[4-[11-(5,6-diphenyl-1,2,4-triazin-3-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 167424318
11-phenyl-N,N-bis(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170675685
2-phenanthren-3-yl-4-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742439
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-dinaphthalen-2-yl-6-(11-phenylnaphtho[2,1-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 177131008
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
2,4-diphenyl-6-[3-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 148977873

Frequently Asked Questions

What is the IUPAC name of N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline (CID 156554104) is N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c(c4)oc4ccc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is AJCGWPMMTJEETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-5-15-37(16-6-1)38-25-30-45(31-26-38)59(44-22-11-4-12-23-44)46-32-27-39(28-33-46)43-35-48(52-50(36-43)60-49-34-29-40-17-13-14-24-47(40)51(49)52)55-57-53(41-18-7-2-8-19-41)56-54(58-55)42-20-9-3-10-21-42/h1-36H.
What are the key properties of N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline?
N-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-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-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 156554104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).