N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

C42H34N2O — CID 59431567

IUPACN-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
SMILESCOc1cccc(N(C)c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C42H34N2O/c1-43(38-16-10-18-40(30-38)45-2)36-25-21-32(22-26-36)33-23-27-37(28-24-33)44(42-20-9-14-34-13-6-7-19-41(34)42)39-17-8-15-35(29-39)31-11-4-3-5-12-31/h3-30H,1-2H3
InChIKeySNYNBGBZJGAWSX-UHFFFAOYSA-N
MW582.75 g/mol
LogP11.42
Rot. Bonds8

About N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine

N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (PubChem CID 59431567) has the molecular formula C42H34N2O and a molecular weight of 582.75 g/mol. Its IUPAC name is N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
PubChem CID59431567
Molecular FormulaC42H34N2O
Molecular Weight582.75 g/mol
Exact Mass582.27
IUPAC NameN-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
SMILESCOc1cccc(N(C)c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5ccccc45)cc3)cc2)c1
InChIInChI=1S/C42H34N2O/c1-43(38-16-10-18-40(30-38)45-2)36-25-21-32(22-26-36)33-23-27-37(28-24-33)44(42-20-9-14-34-13-6-7-19-41(34)42)39-17-8-15-35(29-39)31-11-4-3-5-12-31/h3-30H,1-2H3
InChIKeySNYNBGBZJGAWSX-UHFFFAOYSA-N
XLogP11.42
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.75
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 161212613
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine;N-methyl-N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 159163258
N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431945
1-N-methyl-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-phenylphenyl)benzene-1,4-diamine
CID 59431943
1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-naphthalen-2-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 158106660
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N,4-dimethylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 160664392
N-[4-[4-(N-methylanilino)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 59431752
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
1-N-methyl-4-N,4-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-naphthalen-1-yl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-1-N-naphthalen-2-yl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 159975441
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
1-N-methyl-1-N-(3-methylphenyl)-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431746

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
The IUPAC name of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine (CID 59431567) is N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
The canonical SMILES for N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is COc1cccc(N(C)c2ccc(-c3ccc(N(c4cccc(-c5ccccc5)c4)c4cccc5ccccc45)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
The InChIKey is SNYNBGBZJGAWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H34N2O/c1-43(38-16-10-18-40(30-38)45-2)36-25-21-32(22-26-36)33-23-27-37(28-24-33)44(42-20-9-14-34-13-6-7-19-41(34)42)39-17-8-15-35(29-39)31-11-4-3-5-12-31/h3-30H,1-2H3.
What are the key properties of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine?
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine has a molecular weight of 582.75 g/mol, XLogP of 11.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine is sourced from PubChem (CID 59431567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).