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

C52H37N — CID 168846200

IUPACN-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C52H37N/c1-3-16-38(17-4-1)42-22-13-23-43(36-42)39-32-34-46(35-33-39)53(51-30-11-9-27-49(51)41-18-5-2-6-19-41)52-31-12-10-28-50(52)45-25-14-24-44(37-45)48-29-15-21-40-20-7-8-26-47(40)48/h1-37H
InChIKeyARQIEBKMAPSCHR-UHFFFAOYSA-N
MW675.88 g/mol
LogP14.64
Rot. Bonds8

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

N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 168846200) has the molecular formula C52H37N and a molecular weight of 675.88 g/mol. Its IUPAC name is N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID168846200
Molecular FormulaC52H37N
Molecular Weight675.88 g/mol
Exact Mass675.29
IUPAC NameN-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1
InChIInChI=1S/C52H37N/c1-3-16-38(17-4-1)42-22-13-23-43(36-42)39-32-34-46(35-33-39)53(51-30-11-9-27-49(51)41-18-5-2-6-19-41)52-31-12-10-28-50(52)45-25-14-24-44(37-45)48-29-15-21-40-20-7-8-26-47(40)48/h1-37H
InChIKeyARQIEBKMAPSCHR-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
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
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501728
N-(3-naphthalen-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 167324300
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501407
N-(2-dibenzothiophen-2-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2-phenylaniline
CID 167324520
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline (CID 168846200) is N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4)c4ccccc4-c4cccc(-c5cccc6ccccc56)c4)cc3)c2)cc1.
What is the InChIKey of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is ARQIEBKMAPSCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N/c1-3-16-38(17-4-1)42-22-13-23-43(36-42)39-32-34-46(35-33-39)53(51-30-11-9-27-49(51)41-18-5-2-6-19-41)52-31-12-10-28-50(52)45-25-14-24-44(37-45)48-29-15-21-40-20-7-8-26-47(40)48/h1-37H.
What are the key properties of N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline?
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline 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-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168846200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).