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

C62H43N — CID 172502420

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

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

2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline (PubChem CID 172502420) 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,N-bis(4-naphthalen-2-ylphenyl)aniline.

Molecular Properties

Compound Name2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
PubChem CID172502420
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC Name2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1
InChIInChI=1S/C62H43N/c1-3-15-44(16-4-1)54-35-40-57(49-19-5-2-6-20-49)61(43-54)59-24-12-11-23-58(59)60-25-13-14-26-62(60)63(55-36-31-47(32-37-55)52-29-27-45-17-7-9-21-50(45)41-52)56-38-33-48(34-39-56)53-30-28-46-18-8-10-22-51(46)42-53/h1-43H
InChIKeyKXLUFYFCBJNBQF-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

2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
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-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
N-[4-(4-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502016
N-(4-naphthalen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 168789431
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
2-(3-phenylnaphthalen-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 139352585

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The IUPAC name of 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline (CID 172502420) is 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline.
What is the SMILES notation for 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The canonical SMILES for 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3-c3ccccc3N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5ccccc5c4)cc3)c2)cc1.
What is the InChIKey of 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
The InChIKey is KXLUFYFCBJNBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-3-15-44(16-4-1)54-35-40-57(49-19-5-2-6-20-49)61(43-54)59-24-12-11-23-58(59)60-25-13-14-26-62(60)63(55-36-31-47(32-37-55)52-29-27-45-17-7-9-21-50(45)41-52)56-38-33-48(34-39-56)53-30-28-46-18-8-10-22-51(46)42-53/h1-43H.
What are the key properties of 2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)aniline?
2-[2-(2,5-diphenylphenyl)phenyl]-N,N-bis(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,N-bis(4-naphthalen-2-ylphenyl)aniline is sourced from PubChem (CID 172502420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).