N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline

C50H55N — CID 123417724

IUPACN,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline
SMILESCCc1cc(C(C)(C)C)ccc1-c1ccc(N(c2ccc(-c3ccc(C)cc3C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3CC)cc2)cc1
InChIInChI=1S/C50H55N/c1-11-36-32-41(49(5,6)7)20-29-47(36)39-16-24-44(25-17-39)51(43-22-14-38(15-23-43)46-28-13-34(3)31-35(46)4)45-26-18-40(19-27-45)48-30-21-42(50(8,9)10)33-37(48)12-2/h13-33H,11-12H2,1-10H3
InChIKeyYSDWEWSYADSHSL-UHFFFAOYSA-N
MW670.00 g/mol
LogP14.49
Rot. Bonds8

About N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline

N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline (PubChem CID 123417724) has the molecular formula C50H55N and a molecular weight of 670.00 g/mol. Its IUPAC name is N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline.

Molecular Properties

Compound NameN,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline
PubChem CID123417724
Molecular FormulaC50H55N
Molecular Weight670.00 g/mol
Exact Mass669.43
IUPAC NameN,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline
SMILESCCc1cc(C(C)(C)C)ccc1-c1ccc(N(c2ccc(-c3ccc(C)cc3C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3CC)cc2)cc1
InChIInChI=1S/C50H55N/c1-11-36-32-41(49(5,6)7)20-29-47(36)39-16-24-44(25-17-39)51(43-22-14-38(15-23-43)46-28-13-34(3)31-35(46)4)45-26-18-40(19-27-45)48-30-21-42(50(8,9)10)33-37(48)12-2/h13-33H,11-12H2,1-10H3
InChIKeyYSDWEWSYADSHSL-UHFFFAOYSA-N
XLogP14.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.00
LogP ≤ 514.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline?
The IUPAC name of N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline (CID 123417724) is N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline.
What is the SMILES notation for N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline?
The canonical SMILES for N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline is CCc1cc(C(C)(C)C)ccc1-c1ccc(N(c2ccc(-c3ccc(C)cc3C)cc2)c2ccc(-c3ccc(C(C)(C)C)cc3CC)cc2)cc1.
What is the InChIKey of N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline?
The InChIKey is YSDWEWSYADSHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H55N/c1-11-36-32-41(49(5,6)7)20-29-47(36)39-16-24-44(25-17-39)51(43-22-14-38(15-23-43)46-28-13-34(3)31-35(46)4)45-26-18-40(19-27-45)48-30-21-42(50(8,9)10)33-37(48)12-2/h13-33H,11-12H2,1-10H3.
What are the key properties of N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline?
N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline has a molecular weight of 670.00 g/mol, XLogP of 14.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline is sourced from PubChem (CID 123417724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).