2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine

C34H40N2P2 — CID 139489483

IUPAC2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine
SMILESCC(C)(C)P(Cc1cccc(C/C=N/c2ccccc2P(c2ccccc2)c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C34H40N2P2/c1-33(2,3)37(34(4,5)6)26-28-17-15-16-27(36-28)24-25-35-31-22-13-14-23-32(31)38(29-18-9-7-10-19-29)30-20-11-8-12-21-30/h7-23,25H,24,26H2,1-6H3/b35-25+
InChIKeySGUWCBZEAPBILM-KVQDIILNSA-N
MW538.66 g/mol
LogP8.36
Rot. Bonds8

About 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine

2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine (PubChem CID 139489483) has the molecular formula C34H40N2P2 and a molecular weight of 538.66 g/mol. Its IUPAC name is 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine.

Molecular Properties

Compound Name2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine
PubChem CID139489483
Molecular FormulaC34H40N2P2
Molecular Weight538.66 g/mol
Exact Mass538.27
IUPAC Name2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine
SMILESCC(C)(C)P(Cc1cccc(C/C=N/c2ccccc2P(c2ccccc2)c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C34H40N2P2/c1-33(2,3)37(34(4,5)6)26-28-17-15-16-27(36-28)24-25-35-31-22-13-14-23-32(31)38(29-18-9-7-10-19-29)30-20-11-8-12-21-30/h7-23,25H,24,26H2,1-6H3/b35-25+
InChIKeySGUWCBZEAPBILM-KVQDIILNSA-N
XLogP8.36
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.66
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine?
The IUPAC name of 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine (CID 139489483) is 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine.
What is the SMILES notation for 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine?
The canonical SMILES for 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine is CC(C)(C)P(Cc1cccc(C/C=N/c2ccccc2P(c2ccccc2)c2ccccc2)n1)C(C)(C)C.
What is the InChIKey of 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine?
The InChIKey is SGUWCBZEAPBILM-KVQDIILNSA-N. The full InChI is InChI=1S/C34H40N2P2/c1-33(2,3)37(34(4,5)6)26-28-17-15-16-27(36-28)24-25-35-31-22-13-14-23-32(31)38(29-18-9-7-10-19-29)30-20-11-8-12-21-30/h7-23,25H,24,26H2,1-6H3/b35-25+.
What are the key properties of 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine?
2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine has a molecular weight of 538.66 g/mol, XLogP of 8.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine is sourced from PubChem (CID 139489483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).