N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine

C33H26N2 — CID 130412746

IUPACN-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCCc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1-c1ccccn1
InChIInChI=1S/C33H26N2/c1-2-24-20-21-27(23-30(24)31-17-7-8-22-34-31)35(32-18-9-13-25-11-3-5-15-28(25)32)33-19-10-14-26-12-4-6-16-29(26)33/h3-23H,2H2,1H3
InChIKeyADBVWZZELQKKFF-UHFFFAOYSA-N
MW450.59 g/mol
LogP9.09
Rot. Bonds5

About N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine

N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 130412746) has the molecular formula C33H26N2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID130412746
Molecular FormulaC33H26N2
Molecular Weight450.59 g/mol
Exact Mass450.21
IUPAC NameN-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
SMILESCCc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1-c1ccccn1
InChIInChI=1S/C33H26N2/c1-2-24-20-21-27(23-30(24)31-17-7-8-22-34-31)35(32-18-9-13-25-11-3-5-15-28(25)32)33-19-10-14-26-12-4-6-16-29(26)33/h3-23H,2H2,1H3
InChIKeyADBVWZZELQKKFF-UHFFFAOYSA-N
XLogP9.09
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.59
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
1-N,4-N-dinaphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-yl-3-pyrimidin-2-ylanilino)anilino]phenyl]phenyl]-4-N-(3-pyrimidin-2-ylphenyl)benzene-1,4-diamine
CID 58612735
9,10-dimethyl-2-N,6-N-dinaphthalen-1-yl-2-N,6-N-dipyridin-2-ylanthracene-2,6-diamine
CID 58855180
naphthalene;2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 161142905
N,N-bis(4-pyridin-2-ylphenyl)phenanthren-3-amine
CID 118122927
1-N,6-N-bis(3-tert-butylphenyl)-3,8-diethyl-1-N,6-N-dinaphthalen-1-ylpyrene-1,6-diamine
CID 143848170
2-(2-ethylphenyl)-6-pyridin-2-ylpyridine
CID 163435471
4-[N-naphthalen-1-yl-4-(7-pyridin-2-ylpyren-2-yl)anilino]benzonitrile
CID 90308102
N,N-diphenylaniline;N,N-diphenylnaphthalen-1-amine;N,N-diphenylnaphthalen-2-amine;ethane;N-naphthalen-1-yl-N-phenylnaphthalen-1-amine;N-naphthalen-1-yl-N-phenylnaphthalen-2-amine;N-naphthalen-2-yl-N-phenylnaphthalen-2-amine
CID 161430896
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
N-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-N-(3-phenyl-5-pyridin-2-ylphenyl)naphthalen-1-amine
CID 140908634
N-[4-(4-methylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 70891308

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine (CID 130412746) is N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine is CCc1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1-c1ccccn1.
What is the InChIKey of N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is ADBVWZZELQKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2/c1-2-24-20-21-27(23-30(24)31-17-7-8-22-34-31)35(32-18-9-13-25-11-3-5-15-28(25)32)33-19-10-14-26-12-4-6-16-29(26)33/h3-23H,2H2,1H3.
What are the key properties of N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine?
N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 450.59 g/mol, XLogP of 9.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-pyridin-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 130412746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).