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

C62H43N — CID 172502216

IUPAC2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-3-16-44(17-4-1)54-36-39-57(48-20-5-2-6-21-48)61(43-54)59-27-12-11-26-58(59)60-28-13-14-29-62(60)63(55-37-34-47(35-38-55)52-32-30-45-18-7-9-22-49(45)40-52)56-25-15-24-51(42-56)53-33-31-46-19-8-10-23-50(46)41-53/h1-43H
InChIKeyHTFPSDZLFYQLKC-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

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

2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (PubChem CID 172502216) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
PubChem CID172502216
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c2)cc1
InChIInChI=1S/C62H43N/c1-3-16-44(17-4-1)54-36-39-57(48-20-5-2-6-21-48)61(43-54)59-27-12-11-26-58(59)60-28-13-14-29-62(60)63(55-37-34-47(35-38-55)52-32-30-45-18-7-9-22-49(45)40-52)56-25-15-24-51(42-56)53-33-31-46-19-8-10-23-50(46)41-53/h1-43H
InChIKeyHTFPSDZLFYQLKC-UHFFFAOYSA-N
XLogP17.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.03
LogP ≤ 517.46
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
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
CID 172502420
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502244
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-naphthalen-2-ylphenyl)-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172502025
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-3,5-diphenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 172501510
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline (CID 172502216) is 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3cccc(-c4ccc5ccccc5c4)c3)c2)cc1.
What is the InChIKey of 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is HTFPSDZLFYQLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-3-16-44(17-4-1)54-36-39-57(48-20-5-2-6-21-48)61(43-54)59-27-12-11-26-58(59)60-28-13-14-29-62(60)63(55-37-34-47(35-38-55)52-32-30-45-18-7-9-22-49(45)40-52)56-25-15-24-51(42-56)53-33-31-46-19-8-10-23-50(46)41-53/h1-43H.
What are the key properties of 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline?
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline has a molecular weight of 802.03 g/mol, XLogP of 17.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 172502216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).