4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol

C76H76N2O12 — CID 20809999

IUPAC4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(CCc2ccc(N(c3ccc(CCc4cc(CO)c(O)c(CO)c4)cc3)c3ccc(-c4ccc(N(c5ccc(CCc6cc(CO)c(O)c(CO)c6)cc5)c5ccc(CCc6cc(CO)c(O)c(CO)c6)cc5)cc4)cc3)cc2)cc(CO)c1O
InChIInChI=1S/C76H76N2O12/c79-41-59-33-53(34-60(42-80)73(59)87)5-1-49-9-21-67(22-10-49)77(68-23-11-50(12-24-68)2-6-54-35-61(43-81)74(88)62(36-54)44-82)71-29-17-57(18-30-71)58-19-31-72(32-20-58)78(69-25-13-51(14-26-69)3-7-55-37-63(45-83)75(89)64(38-55)46-84)70-27-15-52(16-28-70)4-8-56-39-65(47-85)76(90)66(40-56)48-86/h9-40,79-90H,1-8,41-48H2
InChIKeyBAFXMRCCZZEEFW-UHFFFAOYSA-N
MW1209.45 g/mol
LogP12.19
Rot. Bonds27

About 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol

4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 20809999) has the molecular formula C76H76N2O12 and a molecular weight of 1209.45 g/mol. Its IUPAC name is 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol
PubChem CID20809999
Molecular FormulaC76H76N2O12
Molecular Weight1209.45 g/mol
Exact Mass1208.54
IUPAC Name4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(CCc2ccc(N(c3ccc(CCc4cc(CO)c(O)c(CO)c4)cc3)c3ccc(-c4ccc(N(c5ccc(CCc6cc(CO)c(O)c(CO)c6)cc5)c5ccc(CCc6cc(CO)c(O)c(CO)c6)cc5)cc4)cc3)cc2)cc(CO)c1O
InChIInChI=1S/C76H76N2O12/c79-41-59-33-53(34-60(42-80)73(59)87)5-1-49-9-21-67(22-10-49)77(68-23-11-50(12-24-68)2-6-54-35-61(43-81)74(88)62(36-54)44-82)71-29-17-57(18-30-71)58-19-31-72(32-20-58)78(69-25-13-51(14-26-69)3-7-55-37-63(45-83)75(89)64(38-55)46-84)70-27-15-52(16-28-70)4-8-56-39-65(47-85)76(90)66(40-56)48-86/h9-40,79-90H,1-8,41-48H2
InChIKeyBAFXMRCCZZEEFW-UHFFFAOYSA-N
XLogP12.19
TPSA249.24 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds27
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001209.45
LogP ≤ 512.19
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Analyze 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol (CID 20809999) is 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol is OCc1cc(CCc2ccc(N(c3ccc(CCc4cc(CO)c(O)c(CO)c4)cc3)c3ccc(-c4ccc(N(c5ccc(CCc6cc(CO)c(O)c(CO)c6)cc5)c5ccc(CCc6cc(CO)c(O)c(CO)c6)cc5)cc4)cc3)cc2)cc(CO)c1O.
What is the InChIKey of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is BAFXMRCCZZEEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H76N2O12/c79-41-59-33-53(34-60(42-80)73(59)87)5-1-49-9-21-67(22-10-49)77(68-23-11-50(12-24-68)2-6-54-35-61(43-81)74(88)62(36-54)44-82)71-29-17-57(18-30-71)58-19-31-72(32-20-58)78(69-25-13-51(14-26-69)3-7-55-37-63(45-83)75(89)64(38-55)46-84)70-27-15-52(16-28-70)4-8-56-39-65(47-85)76(90)66(40-56)48-86/h9-40,79-90H,1-8,41-48H2.
What are the key properties of 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol?
4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 1209.45 g/mol, XLogP of 12.19, 27 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[4-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]-N-[4-[2-[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]ethyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]ethyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 20809999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).