N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine

C56H39N — CID 172502888

IUPACN-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C56H39N/c1-3-17-40(18-4-1)47-35-36-52(54(39-47)43-20-5-2-6-21-43)50-28-11-12-29-51(50)53-30-13-14-31-56(53)57(55-32-16-24-42-22-9-10-27-49(42)55)48-26-15-25-45(38-48)46-34-33-41-19-7-8-23-44(41)37-46/h1-39H
InChIKeyXJIRQCOZSWLUIL-UHFFFAOYSA-N
MW725.94 g/mol
LogP15.80
Rot. Bonds8

About N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine

N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine (PubChem CID 172502888) has the molecular formula C56H39N and a molecular weight of 725.94 g/mol. Its IUPAC name is N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
PubChem CID172502888
Molecular FormulaC56H39N
Molecular Weight725.94 g/mol
Exact Mass725.31
IUPAC NameN-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4ccccc34)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C56H39N/c1-3-17-40(18-4-1)47-35-36-52(54(39-47)43-20-5-2-6-21-43)50-28-11-12-29-51(50)53-30-13-14-31-56(53)57(55-32-16-24-42-22-9-10-27-49(42)55)48-26-15-25-45(38-48)46-34-33-41-19-7-8-23-44(41)37-46/h1-39H
InChIKeyXJIRQCOZSWLUIL-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.94
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172502025
N-(3-naphthalen-1-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502158
2-[2-(2,5-diphenylphenyl)phenyl]-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 172502216
N-(3-naphthalen-1-ylphenyl)-N-[2-[4-phenyl-2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 172502876
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501953
2-[2-(2,4-diphenylphenyl)phenyl]-N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172503058
N-[4-(4-naphthalen-2-yl-3-phenylphenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 164831527
N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501217
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
N-(3-naphthalen-2-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 172501021
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-(4-naphthalen-2-ylphenyl)-N-[3-(2,4,6-triphenylphenyl)phenyl]naphthalen-1-amine
CID 166676735

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine (CID 172502888) is N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine is c1ccc(-c2ccc(-c3ccccc3-c3ccccc3N(c3cccc(-c4ccc5ccccc5c4)c3)c3cccc4ccccc34)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine?
The InChIKey is XJIRQCOZSWLUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39N/c1-3-17-40(18-4-1)47-35-36-52(54(39-47)43-20-5-2-6-21-43)50-28-11-12-29-51(50)53-30-13-14-31-56(53)57(55-32-16-24-42-22-9-10-27-49(42)55)48-26-15-25-45(38-48)46-34-33-41-19-7-8-23-44(41)37-46/h1-39H.
What are the key properties of N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine?
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine has a molecular weight of 725.94 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(3-naphthalen-2-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 172502888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).