N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide

C39H33N3O — CID 58722470

IUPACN-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)cc1
InChIInChI=1S/C39H33N3O/c1-29-10-9-15-39(28-29)42(35-13-7-4-8-14-35)37-24-18-32(19-25-37)31-16-22-36(23-17-31)41(34-11-5-3-6-12-34)38-26-20-33(21-27-38)40-30(2)43/h3-28H,1-2H3,(H,40,43)
InChIKeyMLULOKXNEZFCNN-UHFFFAOYSA-N
MW559.71 g/mol
LogP10.56
Rot. Bonds8

About N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide

N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide (PubChem CID 58722470) has the molecular formula C39H33N3O and a molecular weight of 559.71 g/mol. Its IUPAC name is N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide
PubChem CID58722470
Molecular FormulaC39H33N3O
Molecular Weight559.71 g/mol
Exact Mass559.26
IUPAC NameN-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)cc1
InChIInChI=1S/C39H33N3O/c1-29-10-9-15-39(28-29)42(35-13-7-4-8-14-35)37-24-18-32(19-25-37)31-16-22-36(23-17-31)41(34-11-5-3-6-12-34)38-26-20-33(21-27-38)40-30(2)43/h3-28H,1-2H3,(H,40,43)
InChIKeyMLULOKXNEZFCNN-UHFFFAOYSA-N
XLogP10.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.71
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide with MolForge

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Related Compounds

3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
N-[4-(4-anilinophenyl)phenyl]-3-methyl-N-phenylaniline
CID 11235664
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
N-[4-(3-methylphenyl)phenyl]acetamide;propane
CID 142236943
5-(4-anilinophenyl)-1-N,3-N-bis(3-methylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71054362
3-methyl-N-(3-methylphenyl)-N-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline
CID 89068114
3-methyl-N-(3-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]aniline
CID 90810762
1-N-(3-methylphenyl)-4-N-[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 142252530
N-(4-phenylphenyl)acetamide
CID 19998

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide?
The IUPAC name of N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide (CID 58722470) is N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide.
What is the SMILES notation for N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide?
The canonical SMILES for N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide is CC(=O)Nc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4cccc(C)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide?
The InChIKey is MLULOKXNEZFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3O/c1-29-10-9-15-39(28-29)42(35-13-7-4-8-14-35)37-24-18-32(19-25-37)31-16-22-36(23-17-31)41(34-11-5-3-6-12-34)38-26-20-33(21-27-38)40-30(2)43/h3-28H,1-2H3,(H,40,43).
What are the key properties of N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide?
N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide has a molecular weight of 559.71 g/mol, XLogP of 10.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]acetamide is sourced from PubChem (CID 58722470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).