4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol

C125H135N3O15 — CID 20809985

IUPAC4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol
SMILESCc1ccc(N(c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)c2ccc(C(C)(C)c3cc(CO)c(O)c(COCc4cc(C(C)(C)c5ccc(N(c6ccc(C(C)(C)c7cc(CO)c(O)c(CO)c7)cc6)c6ccc(C)c(C)c6)cc5)cc(Cc5cc(C(C)(C)c6ccc(N(c7ccc(C(C)(C)c8cc(CO)c(O)c(CO)c8)cc7)c7ccc(C)c(C)c7)cc6)cc(CO)c5O)c4O)c3)cc2)cc1C
InChIInChI=1S/C125H135N3O15/c1-75-19-34-111(49-78(75)4)126(107-41-26-95(27-42-107)122(11,12)101-56-84(66-130)116(139)85(57-101)67-131)105-37-22-93(23-38-105)120(7,8)99-53-81(114(137)83(55-99)65-129)52-82-54-100(121(9,10)94-24-39-106(40-25-94)127(112-35-20-76(2)79(5)50-112)108-43-28-96(29-44-108)123(13,14)102-58-86(68-132)117(140)87(59-102)69-133)63-91(115(82)138)73-143-74-92-64-104(62-90(72-136)119(92)142)125(17,18)98-32-47-110(48-33-98)128(113-36-21-77(3)80(6)51-113)109-45-30-97(31-46-109)124(15,16)103-60-88(70-134)118(141)89(61-103)71-135/h19-51,53-64,129-142H,52,65-74H2,1-18H3
InChIKeyFEIQJUBAOUGZKC-UHFFFAOYSA-N
MW1919.46 g/mol
LogP25.38
Rot. Bonds35

About 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol

4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol (PubChem CID 20809985) has the molecular formula C125H135N3O15 and a molecular weight of 1919.46 g/mol. Its IUPAC name is 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol
PubChem CID20809985
Molecular FormulaC125H135N3O15
Molecular Weight1919.46 g/mol
Exact Mass1917.99
IUPAC Name4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol
SMILESCc1ccc(N(c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)c2ccc(C(C)(C)c3cc(CO)c(O)c(COCc4cc(C(C)(C)c5ccc(N(c6ccc(C(C)(C)c7cc(CO)c(O)c(CO)c7)cc6)c6ccc(C)c(C)c6)cc5)cc(Cc5cc(C(C)(C)c6ccc(N(c7ccc(C(C)(C)c8cc(CO)c(O)c(CO)c8)cc7)c7ccc(C)c(C)c7)cc6)cc(CO)c5O)c4O)c3)cc2)cc1C
InChIInChI=1S/C125H135N3O15/c1-75-19-34-111(49-78(75)4)126(107-41-26-95(27-42-107)122(11,12)101-56-84(66-130)116(139)85(57-101)67-131)105-37-22-93(23-38-105)120(7,8)99-53-81(114(137)83(55-99)65-129)52-82-54-100(121(9,10)94-24-39-106(40-25-94)127(112-35-20-76(2)79(5)50-112)108-43-28-96(29-44-108)123(13,14)102-58-86(68-132)117(140)87(59-102)69-133)63-91(115(82)138)73-143-74-92-64-104(62-90(72-136)119(92)142)125(17,18)98-32-47-110(48-33-98)128(113-36-21-77(3)80(6)51-113)109-45-30-97(31-46-109)124(15,16)103-60-88(70-134)118(141)89(61-103)71-135/h19-51,53-64,129-142H,52,65-74H2,1-18H3
InChIKeyFEIQJUBAOUGZKC-UHFFFAOYSA-N
XLogP25.38
TPSA302.17 Ų
H-Bond Donors14
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001919.46
LogP ≤ 525.38
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1018

Analyze 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol with MolForge

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Related Compounds

4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 20809986
4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]phenyl]anilino]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 23539942
4-[2-[4-[1,1-bis[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]propan-2-yl]-2,6-bis(hydroxymethyl)phenol
CID 22743719
N,N-bis(4-tert-butylphenyl)-3,4-dimethylaniline
CID 22630576
[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 54528653
4-[1-[4-(N-(3,4-dimethylphenyl)anilino)phenoxy]-2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 20580185
2-(2-hydroxyethyl)-4-[2-[3-[2-[4-hydroxy-3-(2-hydroxyethyl)-5-(methoxymethyl)phenyl]propan-2-yl]-5-[2-[4-hydroxy-3-(hydroxymethyl)-5-(methoxymethyl)phenyl]propan-2-yl]phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 90335386
[2-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenyl]methanol
CID 155273417
4-[2-[3,5-bis(2-ethoxyethoxymethyl)-4-hydroxyphenyl]propan-2-yl]-2-(2-ethoxyethoxymethyl)-6-(2-methoxyethoxymethyl)phenol
CID 176631810
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
2-[4-(N-(3,4-dimethylphenyl)-3,4-dimethylanilino)phenoxy]ethanol
CID 20580129
2-tert-butyl-4-[2-[3-tert-butyl-4-hydroxy-5-(hydroxymethyl)phenyl]propan-2-yl]-6-(hydroxymethyl)phenol
CID 10811012

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol?
The IUPAC name of 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol (CID 20809985) is 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol is Cc1ccc(N(c2ccc(C(C)(C)c3cc(CO)c(O)c(CO)c3)cc2)c2ccc(C(C)(C)c3cc(CO)c(O)c(COCc4cc(C(C)(C)c5ccc(N(c6ccc(C(C)(C)c7cc(CO)c(O)c(CO)c7)cc6)c6ccc(C)c(C)c6)cc5)cc(Cc5cc(C(C)(C)c6ccc(N(c7ccc(C(C)(C)c8cc(CO)c(O)c(CO)c8)cc7)c7ccc(C)c(C)c7)cc6)cc(CO)c5O)c4O)c3)cc2)cc1C.
What is the InChIKey of 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol?
The InChIKey is FEIQJUBAOUGZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C125H135N3O15/c1-75-19-34-111(49-78(75)4)126(107-41-26-95(27-42-107)122(11,12)101-56-84(66-130)116(139)85(57-101)67-131)105-37-22-93(23-38-105)120(7,8)99-53-81(114(137)83(55-99)65-129)52-82-54-100(121(9,10)94-24-39-106(40-25-94)127(112-35-20-76(2)79(5)50-112)108-43-28-96(29-44-108)123(13,14)102-58-86(68-132)117(140)87(59-102)69-133)63-91(115(82)138)73-143-74-92-64-104(62-90(72-136)119(92)142)125(17,18)98-32-47-110(48-33-98)128(113-36-21-77(3)80(6)51-113)109-45-30-97(31-46-109)124(15,16)103-60-88(70-134)118(141)89(61-103)71-135/h19-51,53-64,129-142H,52,65-74H2,1-18H3.
What are the key properties of 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol?
4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol has a molecular weight of 1919.46 g/mol, XLogP of 25.38, 35 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-3-[[5-[2-[4-[N-(3,4-dimethylphenyl)-4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]propan-2-yl]anilino]phenyl]propan-2-yl]-2-hydroxy-3-(hydroxymethyl)phenyl]methoxymethyl]-2-hydroxyphenyl]methyl]-6-(hydroxymethyl)phenol is sourced from PubChem (CID 20809985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).