N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine

C61H40N2O — CID 171410556

IUPACN-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4c(cc(-c5cccc6c(N(c7cccc(-c8cccc9ccccc89)c7)c7ccccc7-c7ccccc7)cccc56)c5ccccc54)o3)cc2)cc1
InChIInChI=1S/C61H40N2O/c1-3-17-41(18-4-1)42-35-37-45(38-36-42)61-62-60-55-28-10-9-27-53(55)56(40-59(60)64-61)52-30-15-32-54-51(52)31-16-34-58(54)63(57-33-12-11-26-50(57)44-19-5-2-6-20-44)47-24-13-23-46(39-47)49-29-14-22-43-21-7-8-25-48(43)49/h1-40H
InChIKeyVSBXHVLJHLKLMC-UHFFFAOYSA-N
MW817.00 g/mol
LogP17.09
Rot. Bonds8

About N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine

N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine (PubChem CID 171410556) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
PubChem CID171410556
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3nc4c(cc(-c5cccc6c(N(c7cccc(-c8cccc9ccccc89)c7)c7ccccc7-c7ccccc7)cccc56)c5ccccc54)o3)cc2)cc1
InChIInChI=1S/C61H40N2O/c1-3-17-41(18-4-1)42-35-37-45(38-36-42)61-62-60-55-28-10-9-27-53(55)56(40-59(60)64-61)52-30-15-32-54-51(52)31-16-34-58(54)63(57-33-12-11-26-50(57)44-19-5-2-6-20-44)47-24-13-23-46(39-47)49-29-14-22-43-21-7-8-25-48(43)49/h1-40H
InChIKeyVSBXHVLJHLKLMC-UHFFFAOYSA-N
XLogP17.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 517.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-naphthalen-2-ylbenzo[e][1,3]benzoxazol-5-yl)-N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)naphthalen-2-amine
CID 171410602
N-(3-naphthalen-1-ylphenyl)-5-phenyl-N-(2-phenylphenyl)-6-oxa-4-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),4,8,11,14,16,18,20-decaen-15-amine
CID 176631223
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N,2-diphenyl-N-[3-(2-phenylphenanthro[2,1-e][1,3]benzoxazol-10-yl)phenyl]aniline
CID 170122375
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-7-amine
CID 167124876
N-[4-(2-dibenzofuran-3-yl-1,3-benzoxazol-4-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)-2-phenylaniline
CID 176785926
N-(2-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-e][1,3]benzoxazol-5-amine
CID 167124873
N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[3,2-f][1,3]benzoxazol-4-amine
CID 167127574
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-amine
CID 170424937
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine (CID 171410556) is N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine is c1ccc(-c2ccc(-c3nc4c(cc(-c5cccc6c(N(c7cccc(-c8cccc9ccccc89)c7)c7ccccc7-c7ccccc7)cccc56)c5ccccc54)o3)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine?
The InChIKey is VSBXHVLJHLKLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-3-17-41(18-4-1)42-35-37-45(38-36-42)61-62-60-55-28-10-9-27-53(55)56(40-59(60)64-61)52-30-15-32-54-51(52)31-16-34-58(54)63(57-33-12-11-26-50(57)44-19-5-2-6-20-44)47-24-13-23-46(39-47)49-29-14-22-43-21-7-8-25-48(43)49/h1-40H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine?
N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine has a molecular weight of 817.00 g/mol, XLogP of 17.09, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)-5-[2-(4-phenylphenyl)benzo[e][1,3]benzoxazol-5-yl]naphthalen-1-amine is sourced from PubChem (CID 171410556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).