bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)

C165H230N10O5 — CID 160724061

IUPACbis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)
SMILESCC(C)(C)c1cc(CNc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CNc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Nc2ccc(CC(C)CC(C)(C)C)cc2)cc1.CC(Cc1ccc(Nc2ccc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1)CC(C)(C)C.CC(Cc1ccc(Nc2ccc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1)CC(C)(C)C
InChIInChI=1S/C41H62N2O.2C35H50N2O.2C27H34N2O/c1-28(2)22-30(4)43(27-32-24-33(40(8,9)10)25-37(38(32)44)41(11,12)13)36-20-18-35(19-21-36)42-34-16-14-31(15-17-34)23-29(3)26-39(5,6)7;2*1-24(22-33(2,3)4)19-25-11-13-28(14-12-25)37-29-17-15-27(16-18-29)36-23-26-20-30(34(5,6)7)32(38)31(21-26)35(8,9)10;2*1-26(2,3)23-16-19(17-24(25(23)30)27(4,5)6)18-28-20-12-14-22(15-13-20)29-21-10-8-7-9-11-21/h14-21,24-25,28-30,42,44H,22-23,26-27H2,1-13H3;2*11-18,20-21,24,36-38H,19,22-23H2,1-10H3;2*7-17,28-30H,18H2,1-6H3
InChIKeyRTLYLXOWXGXUAH-UHFFFAOYSA-N
MW2433.72 g/mol
LogP46.39
Rot. Bonds37

About bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)

bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol) (PubChem CID 160724061) has the molecular formula C165H230N10O5 and a molecular weight of 2433.72 g/mol. Its IUPAC name is bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol).

Molecular Properties

Compound Namebis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)
PubChem CID160724061
Molecular FormulaC165H230N10O5
Molecular Weight2433.72 g/mol
Exact Mass2431.81
IUPAC Namebis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)
SMILESCC(C)(C)c1cc(CNc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CNc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Nc2ccc(CC(C)CC(C)(C)C)cc2)cc1.CC(Cc1ccc(Nc2ccc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1)CC(C)(C)C.CC(Cc1ccc(Nc2ccc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1)CC(C)(C)C
InChIInChI=1S/C41H62N2O.2C35H50N2O.2C27H34N2O/c1-28(2)22-30(4)43(27-32-24-33(40(8,9)10)25-37(38(32)44)41(11,12)13)36-20-18-35(19-21-36)42-34-16-14-31(15-17-34)23-29(3)26-39(5,6)7;2*1-24(22-33(2,3)4)19-25-11-13-28(14-12-25)37-29-17-15-27(16-18-29)36-23-26-20-30(34(5,6)7)32(38)31(21-26)35(8,9)10;2*1-26(2,3)23-16-19(17-24(25(23)30)27(4,5)6)18-28-20-12-14-22(15-13-20)29-21-10-8-7-9-11-21/h14-21,24-25,28-30,42,44H,22-23,26-27H2,1-13H3;2*11-18,20-21,24,36-38H,19,22-23H2,1-10H3;2*7-17,28-30H,18H2,1-6H3
InChIKeyRTLYLXOWXGXUAH-UHFFFAOYSA-N
XLogP46.39
TPSA212.66 Ų
H-Bond Donors14
H-Bond Acceptors15
Rotatable Bonds37
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.72
LogP ≤ 546.39
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

Analyze bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol) with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol;2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
CID 123144880
2-[[4-(4-anilinoanilino)-N-(4-methylpentan-2-yl)anilino]methyl]-4,6-ditert-butylphenol
CID 59265249
2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
CID 58031338
2-tert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]-4-prop-1-en-2-ylphenol
CID 89345184
4-[[4-benzyl-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]methyl]-2-tert-butyl-6-propan-2-ylphenol;4-[[4-benzyl-N-(4-methylpentan-2-yl)anilino]methyl]-2,6-ditert-butylphenol;4-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]anilino]methyl]-2,6-ditert-butylphenol;4-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]methyl]-2-tert-butyl-6-propan-2-ylphenol;2,6-ditert-butyl-4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol
CID 157129217
2,4-ditert-butyl-6-[[4-[4-[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]anilino]anilino]methyl]phenol
CID 88975405
4-N-[(3,5-ditert-butyl-4-methylphenyl)methyl]-4-N-(4-methylpentan-2-yl)-1-N-[4-(2,4,4-trimethylpentyl)phenyl]benzene-1,4-diamine
CID 71188108
4-[[4-anilino-N-(4-methylpentan-2-yl)anilino]methyl]-2-tert-butyl-6-methylphenol
CID 59265226
2-tert-butyl-4-[[N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[[4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]anilino]methyl]-6-methylphenol;2,6-ditert-butyl-4-[[N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[[4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]anilino]methyl]phenol;2,6-ditert-butyl-4-[[N-(4-methylpentan-2-yl)-4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]anilino]methyl]phenol;2,6-ditert-butyl-4-[[N-(4-methylpentan-2-yl)-4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]anilino]methyl]phenol;2,6-ditert-butyl-4-[[N-(4-methylpentan-2-yl)-4-[[4-[[4-[[4-(2,4,4-trimethylpentyl)phenyl]methyl]phenyl]methyl]phenyl]methyl]anilino]methyl]phenol
CID 158531711
4-[[4-[[4-[(4-benzylphenyl)methyl]phenyl]methyl]-N-(4-methylpentan-2-yl)anilino]methyl]-2,6-ditert-butylphenol
CID 58031325
2-[[4-benzyl-N-(4-methylpentan-2-yl)anilino]methyl]-6-tert-butyl-4-methylphenol
CID 58150834
2,6-ditert-butyl-4-[[4-methylpentan-2-yl-[2-[4-[2-[4-(2,4,4-trimethylpentyl)phenyl]propan-2-ylamino]phenyl]propan-2-yl]amino]methyl]phenol
CID 143284912

Frequently Asked Questions

What is the IUPAC name of bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)?
The IUPAC name of bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol) (CID 160724061) is bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol).
What is the SMILES notation for bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)?
The canonical SMILES for bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol) is CC(C)(C)c1cc(CNc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CNc2ccc(Nc3ccccc3)cc2)cc(C(C)(C)C)c1O.CC(C)CC(C)N(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1ccc(Nc2ccc(CC(C)CC(C)(C)C)cc2)cc1.CC(Cc1ccc(Nc2ccc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1)CC(C)(C)C.CC(Cc1ccc(Nc2ccc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc1)CC(C)(C)C.
What is the InChIKey of bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)?
The InChIKey is RTLYLXOWXGXUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H62N2O.2C35H50N2O.2C27H34N2O/c1-28(2)22-30(4)43(27-32-24-33(40(8,9)10)25-37(38(32)44)41(11,12)13)36-20-18-35(19-21-36)42-34-16-14-31(15-17-34)23-29(3)26-39(5,6)7;2*1-24(22-33(2,3)4)19-25-11-13-28(14-12-25)37-29-17-15-27(16-18-29)36-23-26-20-30(34(5,6)7)32(38)31(21-26)35(8,9)10;2*1-26(2,3)23-16-19(17-24(25(23)30)27(4,5)6)18-28-20-12-14-22(15-13-20)29-21-10-8-7-9-11-21/h14-21,24-25,28-30,42,44H,22-23,26-27H2,1-13H3;2*11-18,20-21,24,36-38H,19,22-23H2,1-10H3;2*7-17,28-30H,18H2,1-6H3.
What are the key properties of bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol)?
bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol) has a molecular weight of 2433.72 g/mol, XLogP of 46.39, 37 rotatable bonds, 14 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(4-anilinoanilino)methyl]-2,6-ditert-butylphenol);2,4-ditert-butyl-6-[[N-(4-methylpentan-2-yl)-4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol;bis(2,6-ditert-butyl-4-[[4-[4-(2,4,4-trimethylpentyl)anilino]anilino]methyl]phenol) is sourced from PubChem (CID 160724061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).