6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C46H36N2O2 — CID 101349643

IUPAC6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCOc1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6cc(OC)ccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C46H36N2O2/c1-49-45-27-19-35-29-43(25-17-37(35)31-45)47(39-9-5-3-6-10-39)41-21-13-33(14-22-41)34-15-23-42(24-16-34)48(40-11-7-4-8-12-40)44-26-18-38-32-46(50-2)28-20-36(38)30-44/h3-32H,1-2H3
InChIKeyTZPHDQMZLIMYEA-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.62
Rot. Bonds9

About 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine

6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 101349643) has the molecular formula C46H36N2O2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID101349643
Molecular FormulaC46H36N2O2
Molecular Weight648.81 g/mol
Exact Mass648.28
IUPAC Name6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCOc1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6cc(OC)ccc6c5)cc4)cc3)ccc2c1
InChIInChI=1S/C46H36N2O2/c1-49-45-27-19-35-29-43(25-17-37(35)31-45)47(39-9-5-3-6-10-39)41-21-13-33(14-22-41)34-15-23-42(24-16-34)48(40-11-7-4-8-12-40)44-26-18-38-32-46(50-2)28-20-36(38)30-44/h3-32H,1-2H3
InChIKeyTZPHDQMZLIMYEA-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

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)-N-phenylnaphthalen-2-amine
CID 15905236
6-N,16-N-bis(4-methoxyphenyl)-6-N,16-N-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene-6,16-diamine
CID 166032295
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
1-N,4-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 132507926
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
4-[4-(4-methoxyphenyl)buta-1,3-dienyl]-N-[4-[4-(N-[4-[4-(4-methoxyphenyl)buta-1,3-dienyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59103440
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

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 101349643) is 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine is COc1ccc2cc(N(c3ccccc3)c3ccc(-c4ccc(N(c5ccccc5)c5ccc6cc(OC)ccc6c5)cc4)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is TZPHDQMZLIMYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2O2/c1-49-45-27-19-35-29-43(25-17-37(35)31-45)47(39-9-5-3-6-10-39)41-21-13-33(14-22-41)34-15-23-42(24-16-34)48(40-11-7-4-8-12-40)44-26-18-38-32-46(50-2)28-20-36(38)30-44/h3-32H,1-2H3.
What are the key properties of 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-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 6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 101349643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).