3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline

C40H35N — CID 58059868

IUPAC3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc(C(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C40H35N/c1-29-15-23-37(24-16-29)41(39-14-8-10-31(3)28-39)38-25-21-33(22-26-38)32-17-19-35(20-18-32)40(34-11-5-4-6-12-34)36-13-7-9-30(2)27-36/h4-28,40H,1-3H3
InChIKeyPOGKZVVORDLSPR-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.93
Rot. Bonds7

About 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline

3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline (PubChem CID 58059868) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
PubChem CID58059868
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC Name3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline
SMILESCc1ccc(N(c2ccc(-c3ccc(C(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1
InChIInChI=1S/C40H35N/c1-29-15-23-37(24-16-29)41(39-14-8-10-31(3)28-39)38-25-21-33(22-26-38)32-17-19-35(20-18-32)40(34-11-5-4-6-12-34)36-13-7-9-30(2)27-36/h4-28,40H,1-3H3
InChIKeyPOGKZVVORDLSPR-UHFFFAOYSA-N
XLogP10.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
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
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
3-methyl-N-phenyl-N-[4-[4-(N-(3-propan-2-ylphenyl)anilino)phenyl]phenyl]aniline
CID 166794561
methanethiol;3-methyl-N-[4-[4-(N-(3-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 144536774
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
3-methyl-N-[4-[4-[3-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-1-phenylpropyl]phenyl]phenyl]-N-(3-methylphenyl)aniline
CID 134172904
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(E)-2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]phenyl]aniline
CID 89068068
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

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline (CID 58059868) is 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline is Cc1ccc(N(c2ccc(-c3ccc(C(c4ccccc4)c4cccc(C)c4)cc3)cc2)c2cccc(C)c2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline?
The InChIKey is POGKZVVORDLSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-29-15-23-37(24-16-29)41(39-14-8-10-31(3)28-39)38-25-21-33(22-26-38)32-17-19-35(20-18-32)40(34-11-5-4-6-12-34)36-13-7-9-30(2)27-36/h4-28,40H,1-3H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline?
3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline has a molecular weight of 529.73 g/mol, XLogP of 10.93, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-[4-[4-[(3-methylphenyl)-phenylmethyl]phenyl]phenyl]aniline is sourced from PubChem (CID 58059868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).