N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine

C46H36N2O2 — CID 59133381

IUPACN-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC)cc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H36N2O2/c1-49-37-25-21-35(22-26-37)47(33-13-5-3-6-14-33)45-31-29-41(39-17-9-11-19-43(39)45)42-30-32-46(44-20-12-10-18-40(42)44)48(34-15-7-4-8-16-34)36-23-27-38(50-2)28-24-36/h3-32H,1-2H3
InChIKeyAKNAIJBAMDBGKR-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.62
Rot. Bonds9

About N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine

N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine (PubChem CID 59133381) has the molecular formula C46H36N2O2 and a molecular weight of 648.81 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
PubChem CID59133381
Molecular FormulaC46H36N2O2
Molecular Weight648.81 g/mol
Exact Mass648.28
IUPAC NameN-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine
SMILESCOc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC)cc4)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C46H36N2O2/c1-49-37-25-21-35(22-26-37)47(33-13-5-3-6-14-33)45-31-29-41(39-17-9-11-19-43(39)45)42-30-32-46(44-20-12-10-18-40(42)44)48(34-15-7-4-8-16-34)36-23-27-38(50-2)28-24-36/h3-32H,1-2H3
InChIKeyAKNAIJBAMDBGKR-UHFFFAOYSA-N
XLogP12.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-4-[4-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine;N,N-diphenyl-6-[4-[4-[6-(N-phenylanilino)naphthalen-2-yl]naphthalen-1-yl]naphthalen-1-yl]naphthalen-2-amine;1-(6-methoxynaphthalen-2-yl)-4-[4-(6-methoxynaphthalen-2-yl)naphthalen-1-yl]naphthalene
CID 157482098
1-N,5-N-bis(4-methoxyphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 101381671
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
3-N,3-N,9-N,9-N-tetrakis(4-methoxyphenyl)perylene-3,9-diamine
CID 20710079
1-N,3-N,5-N-tris(4-methoxyphenyl)-1-N,3-N,5-N-trinaphthalen-1-ylbenzene-1,3,5-triamine
CID 59907395
20-[3-(4-methoxy-N-methylanilino)phenyl]-N-(4-methoxyphenyl)-3,15-dimethyl-N-phenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2,4(14),5(26),6,8,10,12,15,17(25),18,20,22-tridecaen-8-amine
CID 163784613
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198
N-(4-methoxyphenyl)-1-naphthalen-1-yl-N-(3-phenylphenyl)naphthalen-2-amine
CID 164774334
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
N,N-bis(4-methoxyphenyl)-5-methyl-2-(4-methylphenyl)aniline;5-methyl-2-(4-methylphenyl)-N,N-diphenylaniline
CID 162149511
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine (CID 59133381) is N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine is COc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OC)cc4)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine?
The InChIKey is AKNAIJBAMDBGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2O2/c1-49-37-25-21-35(22-26-37)47(33-13-5-3-6-14-33)45-31-29-41(39-17-9-11-19-43(39)45)42-30-32-46(44-20-12-10-18-40(42)44)48(34-15-7-4-8-16-34)36-23-27-38(50-2)28-24-36/h3-32H,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine?
N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine has a molecular weight of 648.81 g/mol, XLogP of 12.62, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[4-(N-(4-methoxyphenyl)anilino)naphthalen-1-yl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 59133381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).