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

C62H43N — CID 172501525

IUPACN-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C62H43N/c1-2-17-44(18-3-1)45-35-37-48(38-36-45)56-27-8-9-28-58(56)59-29-10-11-30-60(59)61-31-12-13-34-62(61)63(51-41-39-49(40-42-51)55-32-15-21-46-19-4-6-25-53(46)55)52-24-14-23-50(43-52)57-33-16-22-47-20-5-7-26-54(47)57/h1-43H
InChIKeyZJPSFCMZIMBYNF-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

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

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (PubChem CID 172501525) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
PubChem CID172501525
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1
InChIInChI=1S/C62H43N/c1-2-17-44(18-3-1)45-35-37-48(38-36-45)56-27-8-9-28-58(56)59-29-10-11-30-60(59)61-31-12-13-34-62(61)63(51-41-39-49(40-42-51)55-32-15-21-46-19-4-6-25-53(46)55)52-24-14-23-50(43-52)57-33-16-22-47-20-5-7-26-54(47)57/h1-43H
InChIKeyZJPSFCMZIMBYNF-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-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501661
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N,N-bis(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172502561
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(2-naphthalen-2-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 172501318
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
N-(3-naphthalen-1-ylphenyl)-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502876
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253
N-[4-[3-[3-[4-[N-naphthalen-1-yl-3-[3-[4-(N-[4-[4-[2-[4-[4-(N-[4-[3-[3-[4-(N-[4-[2-[3-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 166778133

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The IUPAC name of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline (CID 172501525) is N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline.
What is the SMILES notation for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The canonical SMILES for N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3-c3ccccc3N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc(-c4cccc5ccccc45)c3)cc2)cc1.
What is the InChIKey of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
The InChIKey is ZJPSFCMZIMBYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-2-17-44(18-3-1)45-35-37-48(38-36-45)56-27-8-9-28-58(56)59-29-10-11-30-60(59)61-31-12-13-34-62(61)63(51-41-39-49(40-42-51)55-32-15-21-46-19-4-6-25-53(46)55)52-24-14-23-50(43-52)57-33-16-22-47-20-5-7-26-54(47)57/h1-43H.
What are the key properties of N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline?
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]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 N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline is sourced from PubChem (CID 172501525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).