N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene

C126H171N3 — CID 165070173

IUPACN,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H39N.C27H33N.C24H27N.C18H30.C15H24.C12H18/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-20-8-14-23(15-9-20)28(24-16-10-21(11-17-24)26(2,3)4)25-18-12-22(13-19-25)27(5,6)7;1-18-6-12-21(13-7-18)25(22-14-8-19(2)9-15-22)23-16-10-20(11-17-23)24(3,4)5;1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-9-6-10(2)8-11(7-9)12(3,4)5/h10-21H,1-9H3;8-19H,1-7H3;6-17H,1-5H3;10-12H,1-9H3;8-10H,1-7H3;6-8H,1-5H3
InChIKeySPXPUQQWPYPXSO-UHFFFAOYSA-N
MW1727.77 g/mol
LogP37.95
Rot. Bonds9

About N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene

N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene (PubChem CID 165070173) has the molecular formula C126H171N3 and a molecular weight of 1727.77 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
PubChem CID165070173
Molecular FormulaC126H171N3
Molecular Weight1727.77 g/mol
Exact Mass1726.35
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene
SMILESCC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C30H39N.C27H33N.C24H27N.C18H30.C15H24.C12H18/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-20-8-14-23(15-9-20)28(24-16-10-21(11-17-24)26(2,3)4)25-18-12-22(13-19-25)27(5,6)7;1-18-6-12-21(13-7-18)25(22-14-8-19(2)9-15-22)23-16-10-20(11-17-23)24(3,4)5;1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-9-6-10(2)8-11(7-9)12(3,4)5/h10-21H,1-9H3;8-19H,1-7H3;6-17H,1-5H3;10-12H,1-9H3;8-10H,1-7H3;6-8H,1-5H3
InChIKeySPXPUQQWPYPXSO-UHFFFAOYSA-N
XLogP37.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001727.77
LogP ≤ 537.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene with MolForge

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Related Compounds

1-N,4-N-bis(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134368456
1-N,3-N,5-N-tris(4-tert-butylphenyl)-1-N,3-N,5-N-tris(4-methylphenyl)benzene-1,3,5-triamine
CID 22900171
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
4-N-tert-butyl-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 134426365
4-N-(4-tert-butyl-2-methylphenyl)-1-N-(4-tert-butylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 143059806
N-(4-tert-butylphenyl)-N-(4-ethylphenyl)-4-methylaniline
CID 142034446
1-tert-butyl-4-methylbenzene
CID 163486601
N,N-bis(4-tert-butylphenyl)-3-methylaniline
CID 139326638
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
10-N-(4-tert-butylphenyl)-9-N,9-N,10-N-tris(4-methylphenyl)anthracene-9,10-diamine
CID 126627134
2-N,7-N-bis(4-tert-butylphenyl)-9,10-dimethyl-2-N-(4-methylphenyl)-7-N-phenylphenanthrene-2,7-diamine
CID 144657375
tetrakis(1-tert-butyl-4-methylbenzene);ethane
CID 163240916

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene (CID 165070173) is N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene is CC(C)(C)c1cc(C(C)(C)C)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1.Cc1cc(C)cc(C(C)(C)C)c1.Cc1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene?
The InChIKey is SPXPUQQWPYPXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N.C27H33N.C24H27N.C18H30.C15H24.C12H18/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-20-8-14-23(15-9-20)28(24-16-10-21(11-17-24)26(2,3)4)25-18-12-22(13-19-25)27(5,6)7;1-18-6-12-21(13-7-18)25(22-14-8-19(2)9-15-22)23-16-10-20(11-17-23)24(3,4)5;1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9;1-11-8-12(14(2,3)4)10-13(9-11)15(5,6)7;1-9-6-10(2)8-11(7-9)12(3,4)5/h10-21H,1-9H3;8-19H,1-7H3;6-17H,1-5H3;10-12H,1-9H3;8-10H,1-7H3;6-8H,1-5H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene?
N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene has a molecular weight of 1727.77 g/mol, XLogP of 37.95, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-4-methylaniline;4-tert-butyl-N,N-bis(4-tert-butylphenyl)aniline;1-tert-butyl-3,5-dimethylbenzene;N-(4-tert-butylphenyl)-4-methyl-N-(4-methylphenyl)aniline;1,3-ditert-butyl-5-methylbenzene;1,3,5-tritert-butylbenzene is sourced from PubChem (CID 165070173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).