tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine

C92H102N6O12 — CID 139063353

IUPACtetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine
SMILESC1CNCCN1.C1CNCCN1.C1CNCCN1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/4C20H18O3.3C4H10N2/c4*1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;3*1-2-6-4-3-5-1/h4*2-13,21-23H,1H3;3*5-6H,1-4H2
InChIKeyKHVRJIJFCNBQLY-UHFFFAOYSA-N
MW1483.86 g/mol
LogP14.17
Rot. Bonds12

About tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine

tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine (PubChem CID 139063353) has the molecular formula C92H102N6O12 and a molecular weight of 1483.86 g/mol. Its IUPAC name is tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine.

Molecular Properties

Compound Nametetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine
PubChem CID139063353
Molecular FormulaC92H102N6O12
Molecular Weight1483.86 g/mol
Exact Mass1482.76
IUPAC Nametetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine
SMILESC1CNCCN1.C1CNCCN1.C1CNCCN1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/4C20H18O3.3C4H10N2/c4*1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;3*1-2-6-4-3-5-1/h4*2-13,21-23H,1H3;3*5-6H,1-4H2
InChIKeyKHVRJIJFCNBQLY-UHFFFAOYSA-N
XLogP14.17
TPSA314.94 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001483.86
LogP ≤ 514.17
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine?
The IUPAC name of tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine (CID 139063353) is tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine.
What is the SMILES notation for tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine?
The canonical SMILES for tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine is C1CNCCN1.C1CNCCN1.C1CNCCN1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine?
The InChIKey is KHVRJIJFCNBQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H18O3.3C4H10N2/c4*1-20(14-2-8-17(21)9-3-14,15-4-10-18(22)11-5-15)16-6-12-19(23)13-7-16;3*1-2-6-4-3-5-1/h4*2-13,21-23H,1H3;3*5-6H,1-4H2.
What are the key properties of tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine?
tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine has a molecular weight of 1483.86 g/mol, XLogP of 14.17, 12 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol);piperazine is sourced from PubChem (CID 139063353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).