bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)

C98H98N18O40P8 — CID 139061377

IUPACbis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)
SMILESNc1cccc2c([NH3+])cccc12.Nc1cccc2c([NH3+])cccc12.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.[NH3+]c1cccc2c([NH3+])cccc12.[NH3+]c1cccc2c([NH3+])cccc12.[NH3+]c1cccc2c([NH3+])cccc12
InChIInChI=1S/5C10H10N2.8C6H6NO5P/c5*11-9-5-1-3-7-8(9)4-2-6-10(7)12;8*8-6(9)4-1-5(3-7-2-4)13(10,11)12/h5*1-6H,11-12H2;8*1-3H,(H,8,9)(H2,10,11,12)
InChIKeyOPDFFCZIWXGPAK-UHFFFAOYSA-N
MW2415.74 g/mol
LogP-4.04
Rot. Bonds16

About bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)

bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate) (PubChem CID 139061377) has the molecular formula C98H98N18O40P8 and a molecular weight of 2415.74 g/mol. Its IUPAC name is bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate).

Molecular Properties

Compound Namebis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)
PubChem CID139061377
Molecular FormulaC98H98N18O40P8
Molecular Weight2415.74 g/mol
Exact Mass2414.41
IUPAC Namebis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)
SMILESNc1cccc2c([NH3+])cccc12.Nc1cccc2c([NH3+])cccc12.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.[NH3+]c1cccc2c([NH3+])cccc12.[NH3+]c1cccc2c([NH3+])cccc12.[NH3+]c1cccc2c([NH3+])cccc12
InChIInChI=1S/5C10H10N2.8C6H6NO5P/c5*11-9-5-1-3-7-8(9)4-2-6-10(7)12;8*8-6(9)4-1-5(3-7-2-4)13(10,11)12/h5*1-6H,11-12H2;8*1-3H,(H,8,9)(H2,10,11,12)
InChIKeyOPDFFCZIWXGPAK-UHFFFAOYSA-N
XLogP-4.04
TPSA1157.56 Ų
H-Bond Donors26
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002415.74
LogP ≤ 5-4.04
H-Bond Donors ≤ 526
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Tris(4-pyridin-4-ylpyridine);hexakis(2-[3-(trifluoromethyl)anilino]benzoic acid)
CID 139044817
Dicopper;tetrakis(2-(2,3-dimethylanilino)benzoate);tetrakis(3-methylpyridine);dihydrate
CID 139202728
4-Amino-2-[5-tris[[6-(5-amino-2-carboxyphenyl)pyridine-3-carbonyl]oxy]stannyloxycarbonyl-2-pyridinyl]benzoic acid
CID 176549319

Frequently Asked Questions

What is the IUPAC name of bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)?
The IUPAC name of bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate) (CID 139061377) is bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate).
What is the SMILES notation for bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)?
The canonical SMILES for bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate) is Nc1cccc2c([NH3+])cccc12.Nc1cccc2c([NH3+])cccc12.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.O=C(O)c1cncc(P(=O)([O-])O)c1.[NH3+]c1cccc2c([NH3+])cccc12.[NH3+]c1cccc2c([NH3+])cccc12.[NH3+]c1cccc2c([NH3+])cccc12.
What is the InChIKey of bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)?
The InChIKey is OPDFFCZIWXGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/5C10H10N2.8C6H6NO5P/c5*11-9-5-1-3-7-8(9)4-2-6-10(7)12;8*8-6(9)4-1-5(3-7-2-4)13(10,11)12/h5*1-6H,11-12H2;8*1-3H,(H,8,9)(H2,10,11,12).
What are the key properties of bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate)?
bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate) has a molecular weight of 2415.74 g/mol, XLogP of -4.04, 16 rotatable bonds, 26 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis((5-aminonaphthalen-1-yl)azanium);tris((5-azaniumylnaphthalen-1-yl)azanium);octakis((5-carboxy-3-pyridinyl)-hydroxyphosphinate) is sourced from PubChem (CID 139061377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).