N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

C52H35N — CID 167233788

IUPACN-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(-c3ccc(N(c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C52H35N/c1-5-21-43-36(13-1)17-9-25-45(43)40-29-32-42(33-30-40)53(51-28-12-20-39-16-4-8-24-48(39)51)52-35-41(47-26-10-18-37-14-2-6-22-44(37)47)31-34-50(52)49-27-11-19-38-15-3-7-23-46(38)49/h1-35H
InChIKeyCMOAPOYYZUXDDY-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.77
Rot. Bonds6

About N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine

N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (PubChem CID 167233788) has the molecular formula C52H35N and a molecular weight of 673.86 g/mol. Its IUPAC name is N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
PubChem CID167233788
Molecular FormulaC52H35N
Molecular Weight673.86 g/mol
Exact Mass673.28
IUPAC NameN-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
SMILESc1ccc2c(-c3ccc(N(c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)c4cccc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C52H35N/c1-5-21-43-36(13-1)17-9-25-45(43)40-29-32-42(33-30-40)53(51-28-12-20-39-16-4-8-24-48(39)51)52-35-41(47-26-10-18-37-14-2-6-22-44(37)47)31-34-50(52)49-27-11-19-38-15-3-7-23-46(38)49/h1-35H
InChIKeyCMOAPOYYZUXDDY-UHFFFAOYSA-N
XLogP14.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(2-phenylphenyl)aniline
CID 167234762
N-(5-naphthalen-1-yl-2-phenylphenyl)-4-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 167235524
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
2,5-dinaphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(3-naphthalen-2-ylphenyl)phenyl]aniline
CID 167234798
2-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)aniline
CID 174305065
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
2,5-dinaphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167234726
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235
N-[2-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 168846200
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(4-naphthalen-1-ylphenyl)-5-phenanthren-9-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 167234610
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]naphthalen-1-yl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612695

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The IUPAC name of N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine (CID 167233788) is N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The canonical SMILES for N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is c1ccc2c(-c3ccc(N(c4cc(-c5cccc6ccccc56)ccc4-c4cccc5ccccc45)c4cccc5ccccc45)cc3)cccc2c1.
What is the InChIKey of N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
The InChIKey is CMOAPOYYZUXDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N/c1-5-21-43-36(13-1)17-9-25-45(43)40-29-32-42(33-30-40)53(51-28-12-20-39-16-4-8-24-48(39)51)52-35-41(47-26-10-18-37-14-2-6-22-44(37)47)31-34-50(52)49-27-11-19-38-15-3-7-23-46(38)49/h1-35H.
What are the key properties of N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine?
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine has a molecular weight of 673.86 g/mol, XLogP of 14.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine is sourced from PubChem (CID 167233788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).