4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C54H37N — CID 166589712

IUPAC4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-14-38(15-4-1)39-28-32-44(33-29-39)55(53-37-36-51(50-23-9-10-24-52(50)53)49-27-11-19-40-18-7-8-22-46(40)49)45-34-30-42(31-35-45)48-26-13-21-43-20-12-25-47(54(43)48)41-16-5-2-6-17-41/h1-37H
InChIKeyJMGCNKFAMZIFOX-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 166589712) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID166589712
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-14-38(15-4-1)39-28-32-44(33-29-39)55(53-37-36-51(50-23-9-10-24-52(50)53)49-27-11-19-40-18-7-8-22-46(40)49)45-34-30-42(31-35-45)48-26-13-21-43-20-12-25-47(54(43)48)41-16-5-2-6-17-41/h1-37H
InChIKeyJMGCNKFAMZIFOX-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

N-(4-naphthalen-1-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 140943779
N-(4-naphthalen-1-ylnaphthalen-1-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]phenanthren-9-amine
CID 166589643
4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589541
N-[4-(3,4-diphenylphenyl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-1-amine
CID 164832132
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 166589618
5-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589752
N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 166589590
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
N-[4-(4-naphthalen-1-yl-3-phenylphenyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
CID 164831639
3-naphthalen-1-yl-2-(2-phenylphenyl)-N,N-bis(4-phenylphenyl)aniline
CID 168791024

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 166589712) is 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5cccc(-c6ccccc6)c45)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is JMGCNKFAMZIFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-14-38(15-4-1)39-28-32-44(33-29-39)55(53-37-36-51(50-23-9-10-24-52(50)53)49-27-11-19-40-18-7-8-22-46(40)49)45-34-30-42(31-35-45)48-26-13-21-43-20-12-25-47(54(43)48)41-16-5-2-6-17-41/h1-37H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine 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 4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 166589712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).