5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline

C54H37N — CID 167235732

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

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

5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline (PubChem CID 167235732) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound Name5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
PubChem CID167235732
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C54H37N/c1-2-13-43(14-3-1)53-33-28-50(49-23-20-40-12-6-9-17-46(40)36-49)37-54(53)55(51-29-24-41(25-30-51)47-21-18-38-10-4-7-15-44(38)34-47)52-31-26-42(27-32-52)48-22-19-39-11-5-8-16-45(39)35-48/h1-37H
InChIKeyDMLHZEFTQSDEKG-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-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167235736
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
N-[4-(3,5-diphenylphenyl)phenyl]-5-naphthalen-2-yl-2-phenyl-N-(2-phenylphenyl)aniline
CID 167233900
5-naphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 167235270
2,5-dinaphthalen-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(2-phenylphenyl)aniline
CID 167235748
N-[4-(3,5-diphenylphenyl)phenyl]-2,5-dinaphthalen-2-yl-N-(2-phenylphenyl)aniline
CID 167235492
2,5-dinaphthalen-2-yl-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167235226
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-[3-phenyl-4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 167003722
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-(2,5-dinaphthalen-2-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167235752

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The IUPAC name of 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline (CID 167235732) is 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline.
What is the SMILES notation for 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The canonical SMILES for 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline is c1ccc(-c2ccc(-c3ccc4ccccc4c3)cc2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline?
The InChIKey is DMLHZEFTQSDEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-2-13-43(14-3-1)53-33-28-50(49-23-20-40-12-6-9-17-46(40)36-49)37-54(53)55(51-29-24-41(25-30-51)47-21-18-38-10-4-7-15-44(38)34-47)52-31-26-42(27-32-52)48-22-19-39-11-5-8-16-45(39)35-48/h1-37H.
What are the key properties of 5-naphthalen-2-yl-N,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline?
5-naphthalen-2-yl-N,N-bis(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,N-bis(4-naphthalen-2-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 167235732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).