4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol

C72H99NO4 — CID 87990128

IUPAC4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(Cc2ccc(Nc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C72H99NO4/c1-65(2,3)51-35-45(36-52(61(51)74)66(4,5)6)29-43-25-27-59(49(31-43)33-47-39-55(69(13,14)15)63(76)56(40-47)70(16,17)18)73-60-28-26-44(30-46-37-53(67(7,8)9)62(75)54(38-46)68(10,11)12)32-50(60)34-48-41-57(71(19,20)21)64(77)58(42-48)72(22,23)24/h25-28,31-32,35-42,73-77H,29-30,33-34H2,1-24H3
InChIKeySMKTTZLKMHCKDH-UHFFFAOYSA-N
MW1042.59 g/mol
LogP19.00
Rot. Bonds10

About 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol

4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol (PubChem CID 87990128) has the molecular formula C72H99NO4 and a molecular weight of 1042.59 g/mol. Its IUPAC name is 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol
PubChem CID87990128
Molecular FormulaC72H99NO4
Molecular Weight1042.59 g/mol
Exact Mass1041.76
IUPAC Name4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(Cc2ccc(Nc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C72H99NO4/c1-65(2,3)51-35-45(36-52(61(51)74)66(4,5)6)29-43-25-27-59(49(31-43)33-47-39-55(69(13,14)15)63(76)56(40-47)70(16,17)18)73-60-28-26-44(30-46-37-53(67(7,8)9)62(75)54(38-46)68(10,11)12)32-50(60)34-48-41-57(71(19,20)21)64(77)58(42-48)72(22,23)24/h25-28,31-32,35-42,73-77H,29-30,33-34H2,1-24H3
InChIKeySMKTTZLKMHCKDH-UHFFFAOYSA-N
XLogP19.00
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001042.59
LogP ≤ 519.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2-diol
CID 5239155
2,6-ditert-butyl-4-[[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-phenylsulfanylphenyl]methyl]phenol
CID 58276202
4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]benzene-1,2,3-triol
CID 139747892
2-carboxy-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenolate
CID 54720840
2-tert-butyl-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-methylphenol
CID 3480834
4-[[4-[2-[[5-[1,2-bis(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-[[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]phenyl]methyl]-6-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-[(3,5-ditert-butyl-4-methylphenyl)methyl]anilino]phenyl]methyl]-2,6-ditert-butylphenol
CID 159088558
4-[[3,5-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,4,6-tris(methylamino)phenyl]methyl]-2,6-ditert-butylphenol
CID 174668759
2,6-ditert-butyl-4-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]phenol
CID 23046350
4-[2-(4-benzylphenyl)ethyl]-2,6-ditert-butylphenol
CID 149334289
2,6-ditert-butyl-4-[[2-(dimethylamino)phenyl]methyl]phenol
CID 10640840
2,6-ditert-butyl-4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]phenol
CID 159788549
3-chloroprop-1-ene;2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenol
CID 90659435

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol (CID 87990128) is 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol is CC(C)(C)c1cc(Cc2ccc(Nc3ccc(Cc4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)cc3Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol?
The InChIKey is SMKTTZLKMHCKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H99NO4/c1-65(2,3)51-35-45(36-52(61(51)74)66(4,5)6)29-43-25-27-59(49(31-43)33-47-39-55(69(13,14)15)63(76)56(40-47)70(16,17)18)73-60-28-26-44(30-46-37-53(67(7,8)9)62(75)54(38-46)68(10,11)12)32-50(60)34-48-41-57(71(19,20)21)64(77)58(42-48)72(22,23)24/h25-28,31-32,35-42,73-77H,29-30,33-34H2,1-24H3.
What are the key properties of 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol?
4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol has a molecular weight of 1042.59 g/mol, XLogP of 19.00, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2,4-bis[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]anilino]-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phenyl]methyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 87990128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).