5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine

C59H38N2O — CID 171410602

IUPAC5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(-c5cc6oc(-c7ccc8ccccc8c7)nc6c6ccccc56)cccc4c3)c2)cc1
InChIInChI=1S/C59H38N2O/c1-2-14-39(15-3-1)43-20-10-23-47(35-43)61(48-24-11-21-44(36-48)51-28-12-19-41-17-6-7-25-50(41)51)49-32-33-52-45(37-49)22-13-29-53(52)56-38-57-58(55-27-9-8-26-54(55)56)60-59(62-57)46-31-30-40-16-4-5-18-42(40)34-46/h1-38H
InChIKeyBRPYLJMCJITPMZ-UHFFFAOYSA-N
MW790.97 g/mol
LogP16.58
Rot. Bonds7

About 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine

5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine (PubChem CID 171410602) has the molecular formula C59H38N2O and a molecular weight of 790.97 g/mol. Its IUPAC name is 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
PubChem CID171410602
Molecular FormulaC59H38N2O
Molecular Weight790.97 g/mol
Exact Mass790.30
IUPAC Name5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(-c5cc6oc(-c7ccc8ccccc8c7)nc6c6ccccc56)cccc4c3)c2)cc1
InChIInChI=1S/C59H38N2O/c1-2-14-39(15-3-1)43-20-10-23-47(35-43)61(48-24-11-21-44(36-48)51-28-12-19-41-17-6-7-25-50(41)51)49-32-33-52-45(37-49)22-13-29-53(52)56-38-57-58(55-27-9-8-26-54(55)56)60-59(62-57)46-31-30-40-16-4-5-18-42(40)34-46/h1-38H
InChIKeyBRPYLJMCJITPMZ-UHFFFAOYSA-N
XLogP16.58
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.97
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
CID 171410556
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167324009
N,5-dinaphthalen-2-yl-N-[3-phenyl-5-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 176588016
3-naphthalen-2-yl-N-phenyl-N-[4-(2-phenyl-1,3-benzoxazol-4-yl)phenyl]aniline
CID 176785495
N-(3-dibenzofuran-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-3-(4-naphthalen-1-ylphenyl)aniline
CID 176810163
3-naphthalen-2-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123274
3-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172502599
3-dibenzofuran-2-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535241
N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 167123146
3-dibenzofuran-1-yl-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenanthren-2-ylphenyl)phenyl]aniline
CID 176810726
N-[4-(3,5-diphenylphenyl)phenyl]-3-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167324368

Frequently Asked Questions

What is the IUPAC name of 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine (CID 171410602) is 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine is c1ccc(-c2cccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(-c5cc6oc(-c7ccc8ccccc8c7)nc6c6ccccc56)cccc4c3)c2)cc1.
What is the InChIKey of 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
The InChIKey is BRPYLJMCJITPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38N2O/c1-2-14-39(15-3-1)43-20-10-23-47(35-43)61(48-24-11-21-44(36-48)51-28-12-19-41-17-6-7-25-50(41)51)49-32-33-52-45(37-49)22-13-29-53(52)56-38-57-58(55-27-9-8-26-54(55)56)60-59(62-57)46-31-30-40-16-4-5-18-42(40)34-46/h1-38H.
What are the key properties of 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine?
5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine has a molecular weight of 790.97 g/mol, XLogP of 16.58, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 171410602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).