N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline

C64H45N — CID 172501510

IUPACN-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C64H45N/c1-4-18-46(19-5-1)55-43-56(47-20-6-2-7-21-47)45-58(44-55)65(57-40-38-50(39-41-57)49-32-34-51(35-33-49)54-37-36-48-22-10-11-25-53(48)42-54)64-31-17-16-30-63(64)62-29-15-14-28-61(62)60-27-13-12-26-59(60)52-23-8-3-9-24-52/h1-45H
InChIKeyRMOZWXHTOJHNGV-UHFFFAOYSA-N
MW828.07 g/mol
LogP17.98
Rot. Bonds10

About N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline

N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 172501510) has the molecular formula C64H45N and a molecular weight of 828.07 g/mol. Its IUPAC name is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
PubChem CID172501510
Molecular FormulaC64H45N
Molecular Weight828.07 g/mol
Exact Mass827.36
IUPAC NameN-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C64H45N/c1-4-18-46(19-5-1)55-43-56(47-20-6-2-7-21-47)45-58(44-55)65(57-40-38-50(39-41-57)49-32-34-51(35-33-49)54-37-36-48-22-10-11-25-53(48)42-54)64-31-17-16-30-63(64)62-29-15-14-28-61(62)60-27-13-12-26-59(60)52-23-8-3-9-24-52/h1-45H
InChIKeyRMOZWXHTOJHNGV-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-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172501164
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216
N-[4-(3,5-diphenylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172501038
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502244
2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172501823

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline (CID 172501510) is N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is RMOZWXHTOJHNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H45N/c1-4-18-46(19-5-1)55-43-56(47-20-6-2-7-21-47)45-58(44-55)65(57-40-38-50(39-41-57)49-32-34-51(35-33-49)54-37-36-48-22-10-11-25-53(48)42-54)64-31-17-16-30-63(64)62-29-15-14-28-61(62)60-27-13-12-26-59(60)52-23-8-3-9-24-52/h1-45H.
What are the key properties of N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline?
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]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 N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 172501510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).