ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine

C26H27N2P — CID 91567370

IUPACethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine
SMILESCC.[H]/N=C/c1cccc([3H])n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H6N2.C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;1-2/h1-15H;1-5,7H;1-2H3/b;7-5+;/i;4T;
InChIKeyOAJCPYJNVAILQU-QHMIMUCLSA-N
MW400.50 g/mol
LogP5.55
Rot. Bonds4

About ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine

ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine (PubChem CID 91567370) has the molecular formula C26H27N2P and a molecular weight of 400.50 g/mol. Its IUPAC name is ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine.

Molecular Properties

Compound Nameethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine
PubChem CID91567370
Molecular FormulaC26H27N2P
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC Nameethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine
SMILESCC.[H]/N=C/c1cccc([3H])n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C6H6N2.C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;1-2/h1-15H;1-5,7H;1-2H3/b;7-5+;/i;4T;
InChIKeyOAJCPYJNVAILQU-QHMIMUCLSA-N
XLogP5.55
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
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 ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine?
The IUPAC name of ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine (CID 91567370) is ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine.
What is the SMILES notation for ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine?
The canonical SMILES for ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine is CC.[H]/N=C/c1cccc([3H])n1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine?
The InChIKey is OAJCPYJNVAILQU-QHMIMUCLSA-N. The full InChI is InChI=1S/C18H15P.C6H6N2.C2H6/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-6-3-1-2-4-8-6;1-2/h1-15H;1-5,7H;1-2H3/b;7-5+;/i;4T;.
What are the key properties of ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine?
ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine has a molecular weight of 400.50 g/mol, XLogP of 5.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;triphenylphosphane;(6-tritio-2-pyridinyl)methanimine is sourced from PubChem (CID 91567370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).