N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine

C126H135Cl3N8 — CID 158438158

IUPACN,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2Cl)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4-c4ccccc4)n3)c2Cl)cc1.CC(C)(C)c1ccc(N(c2cccc(Nc3ccccc3)n2)c2ccc(C(C)(C)C)cc2-c2ccccc2)cc1
InChIInChI=1S/C63H67ClN4.C37H39N3.C26H29Cl2N/c1-60(2,3)45-29-36-50(37-30-45)66(51-38-31-46(32-39-51)61(4,5)6)55-25-19-26-56(59(55)64)68(49-23-17-14-18-24-49)58-28-20-27-57(65-58)67(52-40-33-47(34-41-52)62(7,8)9)54-42-35-48(63(10,11)12)43-53(54)44-21-15-13-16-22-44;1-36(2,3)28-20-23-31(24-21-28)40(35-19-13-18-34(39-35)38-30-16-11-8-12-17-30)33-25-22-29(37(4,5)6)26-32(33)27-14-9-7-10-15-27;1-25(2,3)18-10-14-20(15-11-18)29(23-9-7-8-22(27)24(23)28)21-16-12-19(13-17-21)26(4,5)6/h13-43H,1-12H3;7-26H,1-6H3,(H,38,39);7-17H,1-6H3
InChIKeyHCMGRTUQHMFRIM-UHFFFAOYSA-N
MW1867.88 g/mol
LogP38.62
Rot. Bonds19

About N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine

N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine (PubChem CID 158438158) has the molecular formula C126H135Cl3N8 and a molecular weight of 1867.88 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
PubChem CID158438158
Molecular FormulaC126H135Cl3N8
Molecular Weight1867.88 g/mol
Exact Mass1864.99
IUPAC NameN,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2Cl)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4-c4ccccc4)n3)c2Cl)cc1.CC(C)(C)c1ccc(N(c2cccc(Nc3ccccc3)n2)c2ccc(C(C)(C)C)cc2-c2ccccc2)cc1
InChIInChI=1S/C63H67ClN4.C37H39N3.C26H29Cl2N/c1-60(2,3)45-29-36-50(37-30-45)66(51-38-31-46(32-39-51)61(4,5)6)55-25-19-26-56(59(55)64)68(49-23-17-14-18-24-49)58-28-20-27-57(65-58)67(52-40-33-47(34-41-52)62(7,8)9)54-42-35-48(63(10,11)12)43-53(54)44-21-15-13-16-22-44;1-36(2,3)28-20-23-31(24-21-28)40(35-19-13-18-34(39-35)38-30-16-11-8-12-17-30)33-25-22-29(37(4,5)6)26-32(33)27-14-9-7-10-15-27;1-25(2,3)18-10-14-20(15-11-18)29(23-9-7-8-22(27)24(23)28)21-16-12-19(13-17-21)26(4,5)6/h13-43H,1-12H3;7-26H,1-6H3,(H,38,39);7-17H,1-6H3
InChIKeyHCMGRTUQHMFRIM-UHFFFAOYSA-N
XLogP38.62
TPSA54.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms137
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001867.88
LogP ≤ 538.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine with MolForge

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Related Compounds

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
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
1-N-(4-tert-butylphenyl)-1-N-[2-(4-tert-butylphenyl)phenyl]-3-N-[4-(4-tert-butylphenyl)phenyl]-3-N-(4-tert-butyl-2-triphenylen-2-ylphenyl)-2-chlorobenzene-1,3-diamine
CID 176592882
N-(4-tert-butyl-2-phenylphenyl)-2,3-dichloro-5-methyl-N-[4-(2-phenylpropan-2-yl)phenyl]aniline
CID 155119953
3-N-(4-tert-butyl-2-phenylphenyl)-5-chloro-3-N-phenyl-1-N-(2-phenylphenyl)benzene-1,3-diamine
CID 171616967
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
3-N-[2,6-bis(4-tert-butylphenyl)phenyl]-3-N-(4-tert-butylphenyl)-1-N-[4-(4-tert-butylphenyl)phenyl]-1-N-(4-tert-butyl-2-triphenylen-2-ylphenyl)-2-chlorobenzene-1,3-diamine
CID 176593071
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
3-N-(2-benzofuran-5-yl)-5-tert-butyl-1-N-[3-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]-2-chloro-1-N,3-N-diphenylbenzene-1,3-diamine;3-N,3-N-bis(4-tert-butylphenyl)-1-N-phenylbenzene-1,3-diamine;N-(5-tert-butyl-2,3-dichlorophenyl)-N-phenyl-2-benzofuran-5-amine
CID 159395197
2-chloro-1-N-phenyl-1-N-[3-(N-phenylanilino)phenyl]-3-N,3-N-bis(3-phenylphenyl)benzene-1,3-diamine;3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;methane;3-phenyl-N-(3-phenylphenyl)aniline
CID 163574767
4-tert-butyl-2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 170288386
4-tert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N,2-diphenylaniline
CID 170288774

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine (CID 158438158) is N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(Cl)c2Cl)cc1.CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cccc(N(c3ccccc3)c3cccc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4-c4ccccc4)n3)c2Cl)cc1.CC(C)(C)c1ccc(N(c2cccc(Nc3ccccc3)n2)c2ccc(C(C)(C)C)cc2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine?
The InChIKey is HCMGRTUQHMFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H67ClN4.C37H39N3.C26H29Cl2N/c1-60(2,3)45-29-36-50(37-30-45)66(51-38-31-46(32-39-51)61(4,5)6)55-25-19-26-56(59(55)64)68(49-23-17-14-18-24-49)58-28-20-27-57(65-58)67(52-40-33-47(34-41-52)62(7,8)9)54-42-35-48(63(10,11)12)43-53(54)44-21-15-13-16-22-44;1-36(2,3)28-20-23-31(24-21-28)40(35-19-13-18-34(39-35)38-30-16-11-8-12-17-30)33-25-22-29(37(4,5)6)26-32(33)27-14-9-7-10-15-27;1-25(2,3)18-10-14-20(15-11-18)29(23-9-7-8-22(27)24(23)28)21-16-12-19(13-17-21)26(4,5)6/h13-43H,1-12H3;7-26H,1-6H3,(H,38,39);7-17H,1-6H3.
What are the key properties of N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine?
N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine has a molecular weight of 1867.88 g/mol, XLogP of 38.62, 19 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-2,3-dichloroaniline;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;6-N-(4-tert-butylphenyl)-6-N-(4-tert-butyl-2-phenylphenyl)-2-N-phenylpyridine-2,6-diamine is sourced from PubChem (CID 158438158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).