2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium

C54H63N7O3Tb — CID 5247456

IUPAC2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium
SMILESCC(C)(C)c1cc(/C=N\CCN(CC/N=C/c2cc(C(C)(C)C)cc(-c3ccccn3)c2O)CC/N=C/c2cc(C(C)(C)C)cc(-c3ccccn3)c2O)c(O)c(-c2ccccn2)c1.[Tb]
InChIInChI=1S/C54H63N7O3.Tb/c1-52(2,3)40-28-37(49(62)43(31-40)46-16-10-13-19-58-46)34-55-22-25-61(26-23-56-35-38-29-41(53(4,5)6)32-44(50(38)63)47-17-11-14-20-59-47)27-24-57-36-39-30-42(54(7,8)9)33-45(51(39)64)48-18-12-15-21-60-48;/h10-21,28-36,62-64H,22-27H2,1-9H3;/b55-34-,56-35+,57-36+;
InChIKeyBEDBATBIEGIECP-YKGAXDKXSA-N
MW1017.07 g/mol
LogP10.84
Rot. Bonds15

About 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium

2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium (PubChem CID 5247456) has the molecular formula C54H63N7O3Tb and a molecular weight of 1017.07 g/mol. Its IUPAC name is 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium.

Molecular Properties

Compound Name2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium
PubChem CID5247456
Molecular FormulaC54H63N7O3Tb
Molecular Weight1017.07 g/mol
Exact Mass1016.42
IUPAC Name2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium
SMILESCC(C)(C)c1cc(/C=N\CCN(CC/N=C/c2cc(C(C)(C)C)cc(-c3ccccn3)c2O)CC/N=C/c2cc(C(C)(C)C)cc(-c3ccccn3)c2O)c(O)c(-c2ccccn2)c1.[Tb]
InChIInChI=1S/C54H63N7O3.Tb/c1-52(2,3)40-28-37(49(62)43(31-40)46-16-10-13-19-58-46)34-55-22-25-61(26-23-56-35-38-29-41(53(4,5)6)32-44(50(38)63)47-17-11-14-20-59-47)27-24-57-36-39-30-42(54(7,8)9)33-45(51(39)64)48-18-12-15-21-60-48;/h10-21,28-36,62-64H,22-27H2,1-9H3;/b55-34-,56-35+,57-36+;
InChIKeyBEDBATBIEGIECP-YKGAXDKXSA-N
XLogP10.84
TPSA139.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.07
LogP ≤ 510.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium?
The IUPAC name of 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium (CID 5247456) is 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium.
What is the SMILES notation for 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium?
The canonical SMILES for 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium is CC(C)(C)c1cc(/C=N\CCN(CC/N=C/c2cc(C(C)(C)C)cc(-c3ccccn3)c2O)CC/N=C/c2cc(C(C)(C)C)cc(-c3ccccn3)c2O)c(O)c(-c2ccccn2)c1.[Tb].
What is the InChIKey of 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium?
The InChIKey is BEDBATBIEGIECP-YKGAXDKXSA-N. The full InChI is InChI=1S/C54H63N7O3.Tb/c1-52(2,3)40-28-37(49(62)43(31-40)46-16-10-13-19-58-46)34-55-22-25-61(26-23-56-35-38-29-41(53(4,5)6)32-44(50(38)63)47-17-11-14-20-59-47)27-24-57-36-39-30-42(54(7,8)9)33-45(51(39)64)48-18-12-15-21-60-48;/h10-21,28-36,62-64H,22-27H2,1-9H3;/b55-34-,56-35+,57-36+;.
What are the key properties of 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium?
2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium has a molecular weight of 1017.07 g/mol, XLogP of 10.84, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis[2-[(5-tert-butyl-2-hydroxy-3-pyridin-2-ylphenyl)methylideneamino]ethyl]amino]ethyliminomethyl]-4-tert-butyl-6-pyridin-2-ylphenol;terbium is sourced from PubChem (CID 5247456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).