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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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).