N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline

C52H37N — CID 168846165

IUPACN-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C52H37N/c1-4-16-38(17-5-1)44-35-45(39-18-6-2-7-19-39)37-46(36-44)40-30-32-48(33-31-40)53(47-24-8-3-9-25-47)52-29-13-12-27-51(52)43-23-14-22-42(34-43)50-28-15-21-41-20-10-11-26-49(41)50/h1-37H
InChIKeyLHOZASAFJJYZAF-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

About N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline

N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline (PubChem CID 168846165) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
PubChem CID168846165
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C52H37N/c1-4-16-38(17-5-1)44-35-45(39-18-6-2-7-19-39)37-46(36-44)40-30-32-48(33-31-40)53(47-24-8-3-9-25-47)52-29-13-12-27-51(52)43-23-14-22-42(34-43)50-28-15-21-41-20-10-11-26-49(41)50/h1-37H
InChIKeyLHOZASAFJJYZAF-UHFFFAOYSA-N
XLogP14.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.88
LogP ≤ 514.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-(3-naphthalen-1-ylphenyl)-3,5-diphenyl-N-(2-phenylphenyl)aniline
CID 167324104
N-(3-naphthalen-1-ylphenyl)-N,2-bis(3-phenylphenyl)aniline
CID 167324216
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
5-naphthalen-1-yl-2-phenyl-N-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167236259
1-N-[4-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]-1-N-phenyl-4-N,4-N-bis(2-phenylphenyl)benzene-1,4-diamine
CID 176587601

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline?
The IUPAC name of N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline (CID 168846165) is N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline.
What is the SMILES notation for N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline?
The canonical SMILES for N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(c4ccccc4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1.
What is the InChIKey of N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline?
The InChIKey is LHOZASAFJJYZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-4-16-38(17-5-1)44-35-45(39-18-6-2-7-19-39)37-46(36-44)40-30-32-48(33-31-40)53(47-24-8-3-9-25-47)52-29-13-12-27-51(52)43-23-14-22-42(34-43)50-28-15-21-41-20-10-11-26-49(41)50/h1-37H.
What are the key properties of N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline?
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline has a molecular weight of 675.88 g/mol, XLogP of 14.64, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline is sourced from PubChem (CID 168846165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).