N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C45H34N2 — CID 59431911

IUPACN-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C45H34N2/c1-46(43-17-9-16-40(30-43)33-10-3-2-4-11-33)41-24-18-36(19-25-41)37-20-26-42(27-21-37)47(44-28-22-34-12-5-7-14-38(34)31-44)45-29-23-35-13-6-8-15-39(35)32-45/h2-32H,1H3
InChIKeyKMGGLIYUIYJYAP-UHFFFAOYSA-N
MW602.78 g/mol
LogP12.56
Rot. Bonds7

About N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 59431911) has the molecular formula C45H34N2 and a molecular weight of 602.78 g/mol. Its IUPAC name is N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID59431911
Molecular FormulaC45H34N2
Molecular Weight602.78 g/mol
Exact Mass602.27
IUPAC NameN-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C45H34N2/c1-46(43-17-9-16-40(30-43)33-10-3-2-4-11-33)41-24-18-36(19-25-41)37-20-26-42(27-21-37)47(44-28-22-34-12-5-7-14-38(34)31-44)45-29-23-35-13-6-8-15-39(35)32-45/h2-32H,1H3
InChIKeyKMGGLIYUIYJYAP-UHFFFAOYSA-N
XLogP12.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.78
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
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-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
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-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
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
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
3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-methyl-3-naphthalen-2-yl-N-phenylaniline
CID 149001874

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 59431911) is N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is CN(c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is KMGGLIYUIYJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N2/c1-46(43-17-9-16-40(30-43)33-10-3-2-4-11-33)41-24-18-36(19-25-41)37-20-26-42(27-21-37)47(44-28-22-34-12-5-7-14-38(34)31-44)45-29-23-35-13-6-8-15-39(35)32-45/h2-32H,1H3.
What are the key properties of N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 602.78 g/mol, XLogP of 12.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 59431911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).