3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline

C59H50N2 — CID 59630257

IUPAC3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline
SMILESCc1ccc(N(c2ccc(C(c3ccccc3)c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)c(C)c4)cc3)cc2)c2ccc(-c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C59H50N2/c1-42-20-28-51(29-21-42)60(55-36-38-57(44(3)40-55)46-14-8-5-9-15-46)53-32-24-49(25-33-53)59(48-18-12-7-13-19-48)50-26-34-54(35-27-50)61(52-30-22-43(2)23-31-52)56-37-39-58(45(4)41-56)47-16-10-6-11-17-47/h5-41,59H,1-4H3
InChIKeyRWUVUAVLLVJBQN-UHFFFAOYSA-N
MW787.06 g/mol
LogP16.37
Rot. Bonds11

About 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline

3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline (PubChem CID 59630257) has the molecular formula C59H50N2 and a molecular weight of 787.06 g/mol. Its IUPAC name is 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline.

Molecular Properties

Compound Name3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline
PubChem CID59630257
Molecular FormulaC59H50N2
Molecular Weight787.06 g/mol
Exact Mass786.40
IUPAC Name3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline
SMILESCc1ccc(N(c2ccc(C(c3ccccc3)c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)c(C)c4)cc3)cc2)c2ccc(-c3ccccc3)c(C)c2)cc1
InChIInChI=1S/C59H50N2/c1-42-20-28-51(29-21-42)60(55-36-38-57(44(3)40-55)46-14-8-5-9-15-46)53-32-24-49(25-33-53)59(48-18-12-7-13-19-48)50-26-34-54(35-27-50)61(52-30-22-43(2)23-31-52)56-37-39-58(45(4)41-56)47-16-10-6-11-17-47/h5-41,59H,1-4H3
InChIKeyRWUVUAVLLVJBQN-UHFFFAOYSA-N
XLogP16.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.06
LogP ≤ 516.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
CID 58059868
3-N-(4-methylphenyl)-1-N-[3-(N-(4-methylphenyl)anilino)-4-phenylphenyl]-1-N,3-N,4-triphenylbenzene-1,3-diamine
CID 139762641
4-(4-benzhydrylphenyl)-N,N-diphenylaniline
CID 58782687
N,N-diphenyl-4-[4-[phenyl-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]methyl]phenyl]aniline
CID 118359961
4-[4-[4-(4-cyanophenyl)-3-methyl-N-[3-methyl-4-[4-(N-phenylanilino)phenyl]phenyl]anilino]-2-methylphenyl]benzonitrile
CID 122435879
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
N-[4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 123965706
1-N,4-N-bis(3,4-dimethylphenyl)-1-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59470459
4-N-[3-[3-[3-(N-(4-benzhydrylphenyl)anilino)phenyl]-5-phenylphenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 90071775
N-[4-[2-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 144907542
N,N-bis(4-methylphenyl)-3-phenylaniline
CID 140818331
N-(4-methylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 58410428

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline?
The IUPAC name of 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline (CID 59630257) is 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline.
What is the SMILES notation for 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline?
The canonical SMILES for 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline is Cc1ccc(N(c2ccc(C(c3ccccc3)c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccccc5)c(C)c4)cc3)cc2)c2ccc(-c3ccccc3)c(C)c2)cc1.
What is the InChIKey of 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline?
The InChIKey is RWUVUAVLLVJBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H50N2/c1-42-20-28-51(29-21-42)60(55-36-38-57(44(3)40-55)46-14-8-5-9-15-46)53-32-24-49(25-33-53)59(48-18-12-7-13-19-48)50-26-34-54(35-27-50)61(52-30-22-43(2)23-31-52)56-37-39-58(45(4)41-56)47-16-10-6-11-17-47/h5-41,59H,1-4H3.
What are the key properties of 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline?
3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline has a molecular weight of 787.06 g/mol, XLogP of 16.37, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[4-(4-methyl-N-(3-methyl-4-phenylphenyl)anilino)phenyl]-phenylmethyl]phenyl]-N-(4-methylphenyl)-4-phenylaniline is sourced from PubChem (CID 59630257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).