1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine

C202H223N9 — CID 157085046

IUPAC1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
SMILESCCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)cc3C)c(C)c2)c(C)c1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c(C)c2)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C52H60N2.C50H56N2.C41H46N2.C35H34N2.C24H27N/c1-11-13-15-43-29-39(7)51(40(8)30-43)53(45-21-17-35(3)18-22-45)47-25-27-49(37(5)33-47)50-28-26-48(34-38(50)6)54(46-23-19-36(4)20-24-46)52-41(9)31-44(16-14-12-2)32-42(52)10;1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-29-10-17-34(18-11-29)42(35-19-13-32(14-20-35)40(4,5)6)36-23-25-38(26-24-36)43(39-27-12-30(2)28-31(39)3)37-21-15-33(16-22-37)41(7,8)9;1-25-6-14-30(15-7-25)36(31-16-8-26(2)9-17-31)34-22-23-35(29(5)24-34)37(32-18-10-27(3)11-19-32)33-20-12-28(4)13-21-33;1-5-20(4)21-10-16-24(17-11-21)25(22-12-6-18(2)7-13-22)23-14-8-19(3)9-15-23/h17-34H,11-16H2,1-10H3;13-32H,1-12H3;10-28H,1-9H3;6-24H,1-5H3;6-17,20H,5H2,1-4H3
InChIKeyADZLTGRSDQRTNQ-UHFFFAOYSA-N
MW2777.07 g/mol
LogP59.79
Rot. Bonds37

About 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine

1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine (PubChem CID 157085046) has the molecular formula C202H223N9 and a molecular weight of 2777.07 g/mol. Its IUPAC name is 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
PubChem CID157085046
Molecular FormulaC202H223N9
Molecular Weight2777.07 g/mol
Exact Mass2774.77
IUPAC Name1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
SMILESCCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)cc3C)c(C)c2)c(C)c1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c(C)c2)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C52H60N2.C50H56N2.C41H46N2.C35H34N2.C24H27N/c1-11-13-15-43-29-39(7)51(40(8)30-43)53(45-21-17-35(3)18-22-45)47-25-27-49(37(5)33-47)50-28-26-48(34-38(50)6)54(46-23-19-36(4)20-24-46)52-41(9)31-44(16-14-12-2)32-42(52)10;1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-29-10-17-34(18-11-29)42(35-19-13-32(14-20-35)40(4,5)6)36-23-25-38(26-24-36)43(39-27-12-30(2)28-31(39)3)37-21-15-33(16-22-37)41(7,8)9;1-25-6-14-30(15-7-25)36(31-16-8-26(2)9-17-31)34-22-23-35(29(5)24-34)37(32-18-10-27(3)11-19-32)33-20-12-28(4)13-21-33;1-5-20(4)21-10-16-24(17-11-21)25(22-12-6-18(2)7-13-22)23-14-8-19(3)9-15-23/h17-34H,11-16H2,1-10H3;13-32H,1-12H3;10-28H,1-9H3;6-24H,1-5H3;6-17,20H,5H2,1-4H3
InChIKeyADZLTGRSDQRTNQ-UHFFFAOYSA-N
XLogP59.79
TPSA29.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds37
Heavy Atoms211
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002777.07
LogP ≤ 559.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine (CID 157085046) is 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine is CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(C)cc2)cc1.CCCCc1cc(C)c(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(CCCC)cc4C)cc3C)c(C)c2)c(C)c1.Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cc(C(C)(C)C)cc4C)cc3)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)c(C)c2)cc1.Cc1ccc(N(c2ccc(N(c3ccc(C(C)(C)C)cc3)c3ccc(C)cc3C)cc2)c2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
The InChIKey is ADZLTGRSDQRTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N2.C50H56N2.C41H46N2.C35H34N2.C24H27N/c1-11-13-15-43-29-39(7)51(40(8)30-43)53(45-21-17-35(3)18-22-45)47-25-27-49(37(5)33-47)50-28-26-48(34-38(50)6)54(46-23-19-36(4)20-24-46)52-41(9)31-44(16-14-12-2)32-42(52)10;1-33-13-21-43(22-14-33)51(47-35(3)29-41(30-36(47)4)49(7,8)9)45-25-17-39(18-26-45)40-19-27-46(28-20-40)52(44-23-15-34(2)16-24-44)48-37(5)31-42(32-38(48)6)50(10,11)12;1-29-10-17-34(18-11-29)42(35-19-13-32(14-20-35)40(4,5)6)36-23-25-38(26-24-36)43(39-27-12-30(2)28-31(39)3)37-21-15-33(16-22-37)41(7,8)9;1-25-6-14-30(15-7-25)36(31-16-8-26(2)9-17-31)34-22-23-35(29(5)24-34)37(32-18-10-27(3)11-19-32)33-20-12-28(4)13-21-33;1-5-20(4)21-10-16-24(17-11-21)25(22-12-6-18(2)7-13-22)23-14-8-19(3)9-15-23/h17-34H,11-16H2,1-10H3;13-32H,1-12H3;10-28H,1-9H3;6-24H,1-5H3;6-17,20H,5H2,1-4H3.
What are the key properties of 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine?
1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine has a molecular weight of 2777.07 g/mol, XLogP of 59.79, 37 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-tert-butylphenyl)-4-N-(2,4-dimethylphenyl)-1-N-(4-methylphenyl)benzene-1,4-diamine;N-(4-butan-2-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline;4-butyl-N-[4-[4-(N-(4-butyl-2,6-dimethylphenyl)-4-methylanilino)-2-methylphenyl]-3-methylphenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;4-tert-butyl-N-[4-[4-(N-(4-tert-butyl-2,6-dimethylphenyl)-4-methylanilino)phenyl]phenyl]-2,6-dimethyl-N-(4-methylphenyl)aniline;2-methyl-1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 157085046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).