4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol

C50H50N4O4 — CID 178184611

IUPAC4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol
SMILESCc1ccc(C(C)(c2ccc(O)cc2)c2ccc(C(C)(c3ccc(O)cc3)c3ccc(C(C)(c4ccc(O)cc4)c4ccc(C(C)(C)c5ccc(O)cc5)[nH]4)[nH]3)[nH]2)[nH]1
InChIInChI=1S/C50H50N4O4/c1-31-7-24-41(51-31)48(4,33-10-18-37(56)19-11-33)43-27-28-45(53-43)50(6,35-14-22-39(58)23-15-35)46-30-29-44(54-46)49(5,34-12-20-38(57)21-13-34)42-26-25-40(52-42)47(2,3)32-8-16-36(55)17-9-32/h7-30,51-58H,1-6H3
InChIKeyGFDDTFIYGPBLOP-UHFFFAOYSA-N
MW770.97 g/mol
LogP10.52
Rot. Bonds11

About 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol

4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol (PubChem CID 178184611) has the molecular formula C50H50N4O4 and a molecular weight of 770.97 g/mol. Its IUPAC name is 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol
PubChem CID178184611
Molecular FormulaC50H50N4O4
Molecular Weight770.97 g/mol
Exact Mass770.38
IUPAC Name4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol
SMILESCc1ccc(C(C)(c2ccc(O)cc2)c2ccc(C(C)(c3ccc(O)cc3)c3ccc(C(C)(c4ccc(O)cc4)c4ccc(C(C)(C)c5ccc(O)cc5)[nH]4)[nH]3)[nH]2)[nH]1
InChIInChI=1S/C50H50N4O4/c1-31-7-24-41(51-31)48(4,33-10-18-37(56)19-11-33)43-27-28-45(53-43)50(6,35-14-22-39(58)23-15-35)46-30-29-44(54-46)49(5,34-12-20-38(57)21-13-34)42-26-25-40(52-42)47(2,3)32-8-16-36(55)17-9-32/h7-30,51-58H,1-6H3
InChIKeyGFDDTFIYGPBLOP-UHFFFAOYSA-N
XLogP10.52
TPSA144.08 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500770.97
LogP ≤ 510.52
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

Analyze 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol (CID 178184611) is 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol is Cc1ccc(C(C)(c2ccc(O)cc2)c2ccc(C(C)(c3ccc(O)cc3)c3ccc(C(C)(c4ccc(O)cc4)c4ccc(C(C)(C)c5ccc(O)cc5)[nH]4)[nH]3)[nH]2)[nH]1.
What is the InChIKey of 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol?
The InChIKey is GFDDTFIYGPBLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50N4O4/c1-31-7-24-41(51-31)48(4,33-10-18-37(56)19-11-33)43-27-28-45(53-43)50(6,35-14-22-39(58)23-15-35)46-30-29-44(54-46)49(5,34-12-20-38(57)21-13-34)42-26-25-40(52-42)47(2,3)32-8-16-36(55)17-9-32/h7-30,51-58H,1-6H3.
What are the key properties of 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol?
4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol has a molecular weight of 770.97 g/mol, XLogP of 10.52, 11 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-[5-[1-(4-hydroxyphenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]ethyl]-1H-pyrrol-2-yl]propan-2-yl]phenol is sourced from PubChem (CID 178184611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).