N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

C38H37Cl2N — CID 155119953

IUPACN-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCc1cc(Cl)c(Cl)c(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C38H37Cl2N/c1-26-23-33(39)36(40)35(24-26)41(31-20-17-29(18-21-31)38(5,6)28-15-11-8-12-16-28)34-22-19-30(37(2,3)4)25-32(34)27-13-9-7-10-14-27/h7-25H,1-6H3
InChIKeyUEBKLZNRGKBEQU-UHFFFAOYSA-N
MW578.63 g/mol
LogP12.06
Rot. Bonds6

About N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline

N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (PubChem CID 155119953) has the molecular formula C38H37Cl2N and a molecular weight of 578.63 g/mol. Its IUPAC name is N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
PubChem CID155119953
Molecular FormulaC38H37Cl2N
Molecular Weight578.63 g/mol
Exact Mass577.23
IUPAC NameN-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
SMILESCc1cc(Cl)c(Cl)c(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
InChIInChI=1S/C38H37Cl2N/c1-26-23-33(39)36(40)35(24-26)41(31-20-17-29(18-21-31)38(5,6)28-15-11-8-12-16-28)34-22-19-30(37(2,3)4)25-32(34)27-13-9-7-10-14-27/h7-25H,1-6H3
InChIKeyUEBKLZNRGKBEQU-UHFFFAOYSA-N
XLogP12.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.63
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-N-[4-tert-butyl-2-(4-tert-butylphenyl)phenyl]-3-N-(3-tert-butylphenyl)-1-N,1-N-bis(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 162423473
3-N-(4-tert-butylphenyl)-3-N-(2,3-dichloro-5-methylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 169041454
1-N,1-N,3-N-tris(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-pyridin-3-ylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 162464037
3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-1-N,1-N-bis[4-(2-phenylpropan-2-yl)phenyl]-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 167394680
potassium;N,N-bis(4-tert-butylphenyl)-2,3-dichloro-5-methylaniline;4-tert-butyl-N-(4-tert-butylphenyl)-2-naphthalen-2-ylaniline;3-N-(4-tert-butyl-2-naphthalen-2-ylphenyl)-1-N,1-N,3-N-tris(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine;hydride;methane;vanadium
CID 163954378
2-bromo-1-N,3-N-bis(4-tert-butylphenyl)-5-methyl-1-N,3-N-bis(2-phenylphenyl)benzene-1,3-diamine
CID 154973153
3-N-[4-tert-butyl-2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2-chloro-5-methyl-1-N,1-N-bis(4-methylphenyl)-3-N-(4-triphenylsilylphenyl)benzene-1,3-diamine
CID 162496896
2-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-2-chlorophenyl]-6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
CID 158438160
N-(4-tert-butyl-2-phenylphenyl)-N-(3-chloro-5-methylphenyl)-9,9,10,10-tetramethylanthracen-2-amine
CID 167391415
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
3-N-[2-(1-benzofuran-2-yl)-4-tert-butylphenyl]-1-N,1-N,3-N-tris(4-tert-butylphenyl)-2-chloro-5-methylbenzene-1,3-diamine
CID 171429935
3-N-(3-tert-butylphenyl)-1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-2-chloro-5-methylbenzene-1,3-diamine;4,17-ditert-butyl-8-(4-tert-butylphenyl)-14-(4-tert-butyl-2-phenylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 163572104

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The IUPAC name of N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline (CID 155119953) is N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline.
What is the SMILES notation for N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The canonical SMILES for N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is Cc1cc(Cl)c(Cl)c(N(c2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.
What is the InChIKey of N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
The InChIKey is UEBKLZNRGKBEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37Cl2N/c1-26-23-33(39)36(40)35(24-26)41(31-20-17-29(18-21-31)38(5,6)28-15-11-8-12-16-28)34-22-19-30(37(2,3)4)25-32(34)27-13-9-7-10-14-27/h7-25H,1-6H3.
What are the key properties of N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline?
N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline has a molecular weight of 578.63 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline is sourced from PubChem (CID 155119953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).