4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine

C43H50N2 — CID 172537053

IUPAC4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C43H50N2/c1-30(2)33-10-18-37(19-11-33)44(38-20-12-34(13-21-38)31(3)4)41-26-28-42(29-27-41)45(39-22-14-35(15-23-39)32(5)6)40-24-16-36(17-25-40)43(7,8)9/h10-32H,1-9H3
InChIKeyMRWRLPHTRIJJER-UHFFFAOYSA-N
MW594.89 g/mol
LogP13.29
Rot. Bonds9

About 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine

4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine (PubChem CID 172537053) has the molecular formula C43H50N2 and a molecular weight of 594.89 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
PubChem CID172537053
Molecular FormulaC43H50N2
Molecular Weight594.89 g/mol
Exact Mass594.40
IUPAC Name4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine
SMILESCC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C43H50N2/c1-30(2)33-10-18-37(19-11-33)44(38-20-12-34(13-21-38)31(3)4)41-26-28-42(29-27-41)45(39-22-14-35(15-23-39)32(5)6)40-24-16-36(17-25-40)43(7,8)9/h10-32H,1-9H3
InChIKeyMRWRLPHTRIJJER-UHFFFAOYSA-N
XLogP13.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.89
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine with MolForge

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Related Compounds

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4-tert-butyl-N,N-dimethylaniline;N,N-dimethyl-4-propan-2-ylaniline
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2-N,2-N,11-N-tris(4-tert-butylphenyl)-11-N-(4-propan-2-ylphenyl)benzo[c]phenanthrene-2,11-diamine
CID 91347233
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
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CID 59133312
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
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1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
1-[bromo-(4-tert-butylphenyl)methyl]-4-propan-2-ylbenzene
CID 63439847
1-tert-butyl-4-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 63431525
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 158366326
4-tert-butyl-N,N-diphenylaniline
CID 11312667

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine (CID 172537053) is 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine is CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc(N(c3ccc(C(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine?
The InChIKey is MRWRLPHTRIJJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H50N2/c1-30(2)33-10-18-37(19-11-33)44(38-20-12-34(13-21-38)31(3)4)41-26-28-42(29-27-41)45(39-22-14-35(15-23-39)32(5)6)40-24-16-36(17-25-40)43(7,8)9/h10-32H,1-9H3.
What are the key properties of 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine?
4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine has a molecular weight of 594.89 g/mol, XLogP of 13.29, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-tert-butylphenyl)-1-N,1-N,4-N-tris(4-propan-2-ylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 172537053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).