nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)

C144H198N12O15 — CID 139147157

IUPACnonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1
InChIInChI=1S/9C12H18O.6C6H6N2O/c9*1-8(2)10-6-5-7-11(9(3)4)12(10)13;6*7-6(9)5-1-3-8-4-2-5/h9*5-9,13H,1-4H3;6*1-4H,(H2,7,9)
InChIKeyAFKYQEYYPRRALL-UHFFFAOYSA-N
MW2337.24 g/mol
LogP33.83
Rot. Bonds24

About nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)

nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide) (PubChem CID 139147157) has the molecular formula C144H198N12O15 and a molecular weight of 2337.24 g/mol. Its IUPAC name is nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide).

Molecular Properties

Compound Namenonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)
PubChem CID139147157
Molecular FormulaC144H198N12O15
Molecular Weight2337.24 g/mol
Exact Mass2335.51
IUPAC Namenonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)
SMILESCC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1
InChIInChI=1S/9C12H18O.6C6H6N2O/c9*1-8(2)10-6-5-7-11(9(3)4)12(10)13;6*7-6(9)5-1-3-8-4-2-5/h9*5-9,13H,1-4H3;6*1-4H,(H2,7,9)
InChIKeyAFKYQEYYPRRALL-UHFFFAOYSA-N
XLogP33.83
TPSA517.95 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002337.24
LogP ≤ 533.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

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Frequently Asked Questions

What is the IUPAC name of nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)?
The IUPAC name of nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide) (CID 139147157) is nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide).
What is the SMILES notation for nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)?
The canonical SMILES for nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide) is CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.NC(=O)c1ccncc1.
What is the InChIKey of nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)?
The InChIKey is AFKYQEYYPRRALL-UHFFFAOYSA-N. The full InChI is InChI=1S/9C12H18O.6C6H6N2O/c9*1-8(2)10-6-5-7-11(9(3)4)12(10)13;6*7-6(9)5-1-3-8-4-2-5/h9*5-9,13H,1-4H3;6*1-4H,(H2,7,9).
What are the key properties of nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide)?
nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide) has a molecular weight of 2337.24 g/mol, XLogP of 33.83, 24 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for nonakis(2,6-di(propan-2-yl)phenol);hexakis(pyridine-4-carboxamide) is sourced from PubChem (CID 139147157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).