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

C48H33N — CID 166589751

IUPAC4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H33N/c1-3-14-34(15-4-1)43-30-31-44(46-24-12-11-23-45(43)46)36-26-28-39(29-27-36)49(38-19-5-2-6-20-38)40-32-37-17-8-10-22-42(37)48(33-40)47-25-13-18-35-16-7-9-21-41(35)47/h1-33H
InChIKeyXUSQYGFOJAWWQO-UHFFFAOYSA-N
MW623.80 g/mol
LogP13.62
Rot. Bonds6

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

4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine (PubChem CID 166589751) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
PubChem CID166589751
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C48H33N/c1-3-14-34(15-4-1)43-30-31-44(46-24-12-11-23-45(43)46)36-26-28-39(29-27-36)49(38-19-5-2-6-20-38)40-32-37-17-8-10-22-42(37)48(33-40)47-25-13-18-35-16-7-9-21-41(35)47/h1-33H
InChIKeyXUSQYGFOJAWWQO-UHFFFAOYSA-N
XLogP13.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 513.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-[4-(4-methyl-8-phenylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-(4-phenylphenyl)naphthalen-2-amine
CID 166589694
1,4-diphenylbenzene;N-(4-naphthalen-1-ylphenyl)-4-[4-(N-(4-naphthalen-1-ylphenyl)anilino)phenyl]-N-phenylaniline;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 161293442
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
N,N,4-triphenylnaphthalen-2-amine
CID 138623110
4-(3-naphthalen-1-yl-4-phenylphenyl)-N,N-diphenylaniline
CID 164831564
N-[4-[4-(N-(3,5-diphenylphenyl)-4-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-3,5-diphenylaniline
CID 58900796
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
The IUPAC name of 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine (CID 166589751) is 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4cc(-c5cccc6ccccc56)c5ccccc5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
The InChIKey is XUSQYGFOJAWWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-3-14-34(15-4-1)43-30-31-44(46-24-12-11-23-45(43)46)36-26-28-39(29-27-36)49(38-19-5-2-6-20-38)40-32-37-17-8-10-22-42(37)48(33-40)47-25-13-18-35-16-7-9-21-41(35)47/h1-33H.
What are the key properties of 4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine?
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine has a molecular weight of 623.80 g/mol, XLogP of 13.62, 6 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-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 166589751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).