2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline

C60H46N2 — CID 59469991

IUPAC2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
SMILESCc1ccccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3C)cc2)cc1
InChIInChI=1S/C60H46N2/c1-43-14-9-12-23-59(43)62(55-37-28-48(29-38-55)47-26-24-46(25-27-47)45-15-5-3-6-16-45)56-39-32-50(33-40-56)49-30-35-54(36-31-49)61(53-19-7-4-8-20-53)60-41-34-52(42-44(60)2)58-22-13-18-51-17-10-11-21-57(51)58/h3-42H,1-2H3
InChIKeyYWGDMVYGAKQCBN-UHFFFAOYSA-N
MW795.04 g/mol
LogP17.06
Rot. Bonds10

About 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline

2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline (PubChem CID 59469991) has the molecular formula C60H46N2 and a molecular weight of 795.04 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline.

Molecular Properties

Compound Name2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
PubChem CID59469991
Molecular FormulaC60H46N2
Molecular Weight795.04 g/mol
Exact Mass794.37
IUPAC Name2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline
SMILESCc1ccccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3C)cc2)cc1
InChIInChI=1S/C60H46N2/c1-43-14-9-12-23-59(43)62(55-37-28-48(29-38-55)47-26-24-46(25-27-47)45-15-5-3-6-16-45)56-39-32-50(33-40-56)49-30-35-54(36-31-49)61(53-19-7-4-8-20-53)60-41-34-52(42-44(60)2)58-22-13-18-51-17-10-11-21-57(51)58/h3-42H,1-2H3
InChIKeyYWGDMVYGAKQCBN-UHFFFAOYSA-N
XLogP17.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500795.04
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-methyl-4-[3-methyl-4-(N-(2-methyl-6-naphthalen-1-ylphenyl)-4-phenylanilino)phenyl]phenyl]-6-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 121323094
2-methyl-N-[2-methyl-4-[3-methyl-4-[N-(2-methyl-6-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)anilino]phenyl]phenyl]-6-naphthalen-1-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 121323106
N-[4-(3,5-diphenylphenyl)phenyl]-2-(3-naphthalen-1-ylphenyl)-N-phenylaniline
CID 168846165
N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119854
N-[4-[4-(N,4-dinaphthalen-1-ylanilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 59861426
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-[2-[2-(4-phenylphenyl)phenyl]phenyl]aniline
CID 172501525
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
4-[3,5-dimethyl-4-(4-naphthalen-1-yl-N-(2-phenylphenyl)anilino)phenyl]-2,6-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(2-phenylphenyl)aniline
CID 121322882
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-4-(2,4,5-triphenylphenyl)aniline
CID 155122986
N-(4-naphthalen-1-ylphenyl)-2,4-diphenyl-N-(4-phenylphenyl)aniline
CID 155123201
5-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N,2-diphenylaniline
CID 167236233
5-naphthalen-1-yl-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-N,2-diphenylaniline
CID 167236235

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline?
The IUPAC name of 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline (CID 59469991) is 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline.
What is the SMILES notation for 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline?
The canonical SMILES for 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline is Cc1ccccc1N(c1ccc(-c2ccc(-c3ccccc3)cc2)cc1)c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5ccccc45)cc3C)cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline?
The InChIKey is YWGDMVYGAKQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H46N2/c1-43-14-9-12-23-59(43)62(55-37-28-48(29-38-55)47-26-24-46(25-27-47)45-15-5-3-6-16-45)56-39-32-50(33-40-56)49-30-35-54(36-31-49)61(53-19-7-4-8-20-53)60-41-34-52(42-44(60)2)58-22-13-18-51-17-10-11-21-57(51)58/h3-42H,1-2H3.
What are the key properties of 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline?
2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline has a molecular weight of 795.04 g/mol, XLogP of 17.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[4-[N-(2-methylphenyl)-4-(4-phenylphenyl)anilino]phenyl]phenyl]-4-naphthalen-1-yl-N-phenylaniline is sourced from PubChem (CID 59469991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).