4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

C54H37N — CID 166589541

IUPAC4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)ccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-14-38(15-4-1)39-26-31-44(32-27-39)55(53-37-36-51(50-23-11-12-24-52(50)53)49-25-13-20-40-18-7-9-21-46(40)49)45-33-28-43(29-34-45)54-47-22-10-8-19-42(47)30-35-48(54)41-16-5-2-6-17-41/h1-37H
InChIKeyDLTMXXKUKXBXEJ-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.28
Rot. Bonds7

About 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine

4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (PubChem CID 166589541) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
PubChem CID166589541
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC Name4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)ccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1
InChIInChI=1S/C54H37N/c1-3-14-38(15-4-1)39-26-31-44(32-27-39)55(53-37-36-51(50-23-11-12-24-52(50)53)49-25-13-20-40-18-7-9-21-46(40)49)45-33-28-43(29-34-45)54-47-22-10-8-19-42(47)30-35-48(54)41-16-5-2-6-17-41/h1-37H
InChIKeyDLTMXXKUKXBXEJ-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

4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526923
N-[4-(3-naphthalen-1-ylphenyl)phenyl]-2,4-diphenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 167265283
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 172527006
N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(4-naphthalen-1-ylphenyl)phenyl]naphthalen-1-amine
CID 172527140
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(2-phenylphenyl)naphthalen-1-amine
CID 139352798
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-4-(4-phenylphenyl)-N-(4-triphenylen-1-ylphenyl)aniline
CID 172527346
4-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527923
N-[4-(3,4-diphenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527395
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The IUPAC name of 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine (CID 166589541) is 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4c(-c5ccccc5)ccc5ccccc45)cc3)c3ccc(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
The InChIKey is DLTMXXKUKXBXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-3-14-38(15-4-1)39-26-31-44(32-27-39)55(53-37-36-51(50-23-11-12-24-52(50)53)49-25-13-20-40-18-7-9-21-46(40)49)45-33-28-43(29-34-45)54-47-22-10-8-19-42(47)30-35-48(54)41-16-5-2-6-17-41/h1-37H.
What are the key properties of 4-naphthalen-1-yl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine?
4-naphthalen-1-yl-N-[4-(2-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-(2-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 166589541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).