N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

C62H43N — CID 172526923

IUPACN-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H43N/c1-4-16-44(17-5-1)52-35-41-61(60(43-52)47-18-6-2-7-19-47)63(54-36-30-45(31-37-54)51-25-14-26-53(42-51)57-29-15-24-46-20-10-12-27-56(46)57)55-38-32-49(33-39-55)59-40-34-48-21-11-13-28-58(48)62(59)50-22-8-3-9-23-50/h1-43H
InChIKeyNBGHTXUKWXGXNV-UHFFFAOYSA-N
MW802.03 g/mol
LogP17.46
Rot. Bonds9

About N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline

N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (PubChem CID 172526923) has the molecular formula C62H43N and a molecular weight of 802.03 g/mol. Its IUPAC name is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
PubChem CID172526923
Molecular FormulaC62H43N
Molecular Weight802.03 g/mol
Exact Mass801.34
IUPAC NameN-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C62H43N/c1-4-16-44(17-5-1)52-35-41-61(60(43-52)47-18-6-2-7-19-47)63(54-36-30-45(31-37-54)51-25-14-26-53(42-51)57-29-15-24-46-20-10-12-27-56(46)57)55-38-32-49(33-39-55)59-40-34-48-21-11-13-28-58(48)62(59)50-22-8-3-9-23-50/h1-43H
InChIKeyNBGHTXUKWXGXNV-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-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 167265283
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-(3-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527834
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
2,3,5,6-tetradeuterio-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 172527032

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The IUPAC name of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline (CID 172526923) is N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline.
What is the SMILES notation for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The canonical SMILES for N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6ccccc56)c4)cc3)c3ccc(-c4ccc5ccccc5c4-c4ccccc4)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
The InChIKey is NBGHTXUKWXGXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N/c1-4-16-44(17-5-1)52-35-41-61(60(43-52)47-18-6-2-7-19-47)63(54-36-30-45(31-37-54)51-25-14-26-53(42-51)57-29-15-24-46-20-10-12-27-56(46)57)55-38-32-49(33-39-55)59-40-34-48-21-11-13-28-58(48)62(59)50-22-8-3-9-23-50/h1-43H.
What are the key properties of N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline?
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)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-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline is sourced from PubChem (CID 172526923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).