2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

C64H45N — CID 172503058

IUPAC2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H45N/c1-4-18-46(19-5-1)48-34-36-49(37-35-48)50-38-41-55(42-39-50)65(56-27-16-26-54(44-56)58-32-17-25-51-24-10-11-28-57(51)58)64-33-15-14-31-62(64)60-30-13-12-29-59(60)61-43-40-53(47-20-6-2-7-21-47)45-63(61)52-22-8-3-9-23-52/h1-45H
InChIKeyMYIULBUAEUUQOI-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.98
Rot. Bonds10

About 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline

2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 172503058) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID172503058
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC Name2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C64H45N/c1-4-18-46(19-5-1)48-34-36-49(37-35-48)50-38-41-55(42-39-50)65(56-27-16-26-54(44-56)58-32-17-25-51-24-10-11-28-57(51)58)64-33-15-14-31-62(64)60-30-13-12-29-59(60)61-43-40-53(47-20-6-2-7-21-47)45-63(61)52-22-8-3-9-23-52/h1-45H
InChIKeyMYIULBUAEUUQOI-UHFFFAOYSA-N
XLogP17.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-(3-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
N-(3-naphthalen-1-ylphenyl)-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502876
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
N-(4-dibenzofuran-4-ylphenyl)-2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)aniline
CID 172503073
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
5-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167236266

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 172503058) is 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4cccc(-c5cccc6ccccc56)c4)c4ccccc4-c4ccccc4-c4ccc(-c5ccccc5)cc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is MYIULBUAEUUQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-4-18-46(19-5-1)48-34-36-49(37-35-48)50-38-41-55(42-39-50)65(56-27-16-26-54(44-56)58-32-17-25-51-24-10-11-28-57(51)58)64-33-15-14-31-62(64)60-30-13-12-29-59(60)61-43-40-53(47-20-6-2-7-21-47)45-63(61)52-22-8-3-9-23-52/h1-45H.
What are the key properties of 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 828.07 g/mol, XLogP of 17.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172503058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).