N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline

C44H44N2 — CID 118033679

IUPACN-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
SMILESCCc1cc(C)c(-c2ccc(N(c3ccc(-c4c(C)cc(C)cc4C)cc3)c3ccc(-c4ccncc4C)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C44H44N2/c1-9-35-24-32(6)44(33(7)25-35)37-12-16-39(17-13-37)46(40-18-19-41(29(3)26-40)42-20-21-45-27-34(42)8)38-14-10-36(11-15-38)43-30(4)22-28(2)23-31(43)5/h10-27H,9H2,1-8H3
InChIKeyBUCJSOAKPRMOEP-UHFFFAOYSA-N
MW600.85 g/mol
LogP12.27
Rot. Bonds7

About N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline

N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline (PubChem CID 118033679) has the molecular formula C44H44N2 and a molecular weight of 600.85 g/mol. Its IUPAC name is N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
PubChem CID118033679
Molecular FormulaC44H44N2
Molecular Weight600.85 g/mol
Exact Mass600.35
IUPAC NameN-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
SMILESCCc1cc(C)c(-c2ccc(N(c3ccc(-c4c(C)cc(C)cc4C)cc3)c3ccc(-c4ccncc4C)c(C)c3)cc2)c(C)c1
InChIInChI=1S/C44H44N2/c1-9-35-24-32(6)44(33(7)25-35)37-12-16-39(17-13-37)46(40-18-19-41(29(3)26-40)42-20-21-45-27-34(42)8)38-14-10-36(11-15-38)43-30(4)22-28(2)23-31(43)5/h10-27H,9H2,1-8H3
InChIKeyBUCJSOAKPRMOEP-UHFFFAOYSA-N
XLogP12.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.85
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-[4-[4-(4-bromo-2,6-dimethylphenyl)-N-[3-methyl-4-(4-propylphenyl)phenyl]anilino]-2-methylphenyl]-2,5-dimethylphenyl]-3-methyl-N-[4-(4-propylphenyl)phenyl]-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 123525552
N-[4-(4-bromophenyl)phenyl]-4-[2,5-dihexyl-4-[2-methyl-4-[4-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]anilino]phenyl]phenyl]-3-methyl-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline
CID 175621549
N,N-bis(3,5-dimethylphenyl)-4-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)-2-methylphenyl]-3-methylaniline
CID 67816568
N-[4-[4-[4-[4-(4-bromo-2,6-dimethylphenyl)-N-[3-methyl-4-(4-propylphenyl)phenyl]anilino]-2-methylphenyl]-2,5-dimethylphenyl]-3-methylphenyl]-N-[4-(4-bromo-2,6-dimethylphenyl)phenyl]-3-methyl-4-(4-propylphenyl)aniline
CID 54766780
N-[3-methyl-4-(1-methylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)pyridin-4-amine
CID 118012042
3-(4-ethylphenyl)-4-methylpyridine
CID 121385790
3-methyl-N,N-bis[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline;4-methyl-N,N-bis[4-methyl-3-(2-methylphenyl)phenyl]-3-(2-methylphenyl)aniline;3-methyl-N-[4-[4-[3-methyl-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)anilino]phenyl]phenyl]-N-[3-methyl-4-(2-methylphenyl)phenyl]-4-(2-methylphenyl)aniline
CID 158046153
3-methyl-4-[2-methyl-4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-N,N-bis(3-methylphenyl)aniline
CID 20562854
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
N-[[3-fluoro-4-(3-methyl-4-pyridinyl)phenyl]methyl]ethanamine
CID 81447965
4-(2,4-dimethylphenyl)pyridin-3-amine
CID 80503034
3-ethyl-N-(3-ethylphenyl)-N-(4-methylphenyl)aniline
CID 139519281

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?
The IUPAC name of N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline (CID 118033679) is N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline.
What is the SMILES notation for N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?
The canonical SMILES for N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline is CCc1cc(C)c(-c2ccc(N(c3ccc(-c4c(C)cc(C)cc4C)cc3)c3ccc(-c4ccncc4C)c(C)c3)cc2)c(C)c1.
What is the InChIKey of N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?
The InChIKey is BUCJSOAKPRMOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H44N2/c1-9-35-24-32(6)44(33(7)25-35)37-12-16-39(17-13-37)46(40-18-19-41(29(3)26-40)42-20-21-45-27-34(42)8)38-14-10-36(11-15-38)43-30(4)22-28(2)23-31(43)5/h10-27H,9H2,1-8H3.
What are the key properties of N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline?
N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline has a molecular weight of 600.85 g/mol, XLogP of 12.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethyl-2,6-dimethylphenyl)phenyl]-3-methyl-4-(3-methyl-4-pyridinyl)-N-[4-(2,4,6-trimethylphenyl)phenyl]aniline is sourced from PubChem (CID 118033679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).