5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline

C54H37N — CID 167235736

IUPAC5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C54H37N/c1-2-14-42(15-3-1)53-32-29-50(49-26-23-40-13-6-9-18-45(40)35-49)37-54(53)55(51-30-27-41(28-31-51)47-24-21-38-11-4-7-16-43(38)33-47)52-20-10-19-46(36-52)48-25-22-39-12-5-8-17-44(39)34-48/h1-37H
InChIKeyREUZYXBJCSYMHH-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline

5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 167235736) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID167235736
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C54H37N/c1-2-14-42(15-3-1)53-32-29-50(49-26-23-40-13-6-9-18-45(40)35-49)37-54(53)55(51-30-27-41(28-31-51)47-24-21-38-11-4-7-16-43(38)33-47)52-20-10-19-46(36-52)48-25-22-39-12-5-8-17-44(39)34-48/h1-37H
InChIKeyREUZYXBJCSYMHH-UHFFFAOYSA-N
XLogP15.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235732
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
5-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)-2-phenyl-N-(3-phenylphenyl)aniline
CID 167235718
5-naphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N,2-diphenylaniline
CID 167235212
5-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 167235721
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
2,5-dinaphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)aniline
CID 167235748
N,2-diphenyl-N-[4-[3-[3-[4-(N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N,3-diphenyl-N-[4-[3-[3-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]aniline;N-[4-[3-[3-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-phenyl-N-(4-phenylphenyl)-3-[3-[3-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158453384
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
2-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167271683
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline (CID 167235736) is 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc(-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is REUZYXBJCSYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-2-14-42(15-3-1)53-32-29-50(49-26-23-40-13-6-9-18-45(40)35-49)37-54(53)55(51-30-27-41(28-31-51)47-24-21-38-11-4-7-16-43(38)33-47)52-20-10-19-46(36-52)48-25-22-39-12-5-8-17-44(39)34-48/h1-37H.
What are the key properties of 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline?
5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline has a molecular weight of 699.90 g/mol, XLogP of 15.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167235736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).