N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine

C36H30N2O — CID 59431830

IUPACN-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCOc1cccc(N(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c1
InChIInChI=1S/C36H30N2O/c1-37(34-13-8-14-36(26-34)39-2)31-20-15-28(16-21-31)29-17-22-33(23-18-29)38(32-11-4-3-5-12-32)35-24-19-27-9-6-7-10-30(27)25-35/h3-26H,1-2H3
InChIKeyYBXGTBNLPHIUPG-UHFFFAOYSA-N
MW506.65 g/mol
LogP9.75
Rot. Bonds7

About N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 59431830) has the molecular formula C36H30N2O and a molecular weight of 506.65 g/mol. Its IUPAC name is N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
PubChem CID59431830
Molecular FormulaC36H30N2O
Molecular Weight506.65 g/mol
Exact Mass506.24
IUPAC NameN-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
SMILESCOc1cccc(N(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c1
InChIInChI=1S/C36H30N2O/c1-37(34-13-8-14-36(26-34)39-2)31-20-15-28(16-21-31)29-17-22-33(23-18-29)38(32-11-4-3-5-12-32)35-24-19-27-9-6-7-10-30(27)25-35/h3-26H,1-2H3
InChIKeyYBXGTBNLPHIUPG-UHFFFAOYSA-N
XLogP9.75
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.65
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-[4-[4-(N,3-dimethylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine;N-[4-[4-(4-methoxy-N-methylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 160743025
1-N-(3-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-(4-methoxyphenyl)-1-N-methyl-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-(3-methylphenyl)-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 162104792
6-methoxy-N-[4-[4-(N-(6-methoxynaphthalen-2-yl)anilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 101349643
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 59431567
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
N-methyl-N-phenylaniline;4-naphthalen-2-yl-N,N-diphenylaniline
CID 145077482
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 59431830) is N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine is COc1cccc(N(C)c2ccc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)cc2)c1.
What is the InChIKey of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is YBXGTBNLPHIUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30N2O/c1-37(34-13-8-14-36(26-34)39-2)31-20-15-28(16-21-31)29-17-22-33(23-18-29)38(32-11-4-3-5-12-32)35-24-19-27-9-6-7-10-30(27)25-35/h3-26H,1-2H3.
What are the key properties of N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine?
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 506.65 g/mol, XLogP of 9.75, 7 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-phenylnaphthalen-2-amine is sourced from PubChem (CID 59431830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).