N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine

C55H36N4O — CID 166974983

IUPACN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C55H36N4O/c1-4-15-37(16-5-1)43-23-14-24-45(35-43)59(46-32-27-38-17-10-11-22-42(38)36-46)44-30-28-39(29-31-44)47-33-34-49(51-48-25-12-13-26-50(48)60-52(47)51)55-57-53(40-18-6-2-7-19-40)56-54(58-55)41-20-8-3-9-21-41/h1-36H
InChIKeyKPQYLCHQAGLJSN-UHFFFAOYSA-N
MW768.92 g/mol
LogP14.73
Rot. Bonds8

About N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine

N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 166974983) has the molecular formula C55H36N4O and a molecular weight of 768.92 g/mol. Its IUPAC name is N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID166974983
Molecular FormulaC55H36N4O
Molecular Weight768.92 g/mol
Exact Mass768.29
IUPAC NameN-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C55H36N4O/c1-4-15-37(16-5-1)43-23-14-24-45(35-43)59(46-32-27-38-17-10-11-22-42(38)36-46)44-30-28-39(29-31-44)47-33-34-49(51-48-25-12-13-26-50(48)60-52(47)51)55-57-53(40-18-6-2-7-19-40)56-54(58-55)41-20-8-3-9-21-41/h1-36H
InChIKeyKPQYLCHQAGLJSN-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-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741767
2,4-dinaphthalen-2-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine;2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163773356
N-(4-naphthalen-2-ylphenyl)-3-[3-(4-naphthalen-1-yl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]anilino)phenyl]-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]aniline
CID 167086919
N-[4-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-N,4-diphenylaniline
CID 166974972
2-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 166742221
2-naphthalen-2-yl-4,6-bis(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 177112498
3-[11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-8-yl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 167424279
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenyldibenzofuran-1-yl)phenyl]phenanthren-2-amine
CID 176820471
2-(4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)aniline
CID 167157315
2,4-diphenyl-6-[4-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142491264
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-6-ylphenyl)-3-phenylaniline
CID 170030961
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-3-amine
CID 171757123

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine (CID 166974983) is N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5c4oc4ccccc45)cc3)c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is KPQYLCHQAGLJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N4O/c1-4-15-37(16-5-1)43-23-14-24-45(35-43)59(46-32-27-38-17-10-11-22-42(38)36-46)44-30-28-39(29-31-44)47-33-34-49(51-48-25-12-13-26-50(48)60-52(47)51)55-57-53(40-18-6-2-7-19-40)56-54(58-55)41-20-8-3-9-21-41/h1-36H.
What are the key properties of N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine?
N-[4-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine 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-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 166974983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).