[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane

C46H54NOP — CID 139213166

IUPAC[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
SMILESCCC(CC(CC(ON1C(C)(C)CCCC1(C)C)c1ccccc1)c1ccc(P(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C46H54NOP/c1-6-36(37-20-11-7-12-21-37)34-40(35-44(39-22-13-8-14-23-39)48-47-45(2,3)32-19-33-46(47,4)5)38-28-30-43(31-29-38)49(41-24-15-9-16-25-41)42-26-17-10-18-27-42/h7-18,20-31,36,40,44H,6,19,32-35H2,1-5H3
InChIKeyNNHPWZHUNAVWBE-UHFFFAOYSA-N
MW667.92 g/mol
LogP11.22
Rot. Bonds13

About [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane

[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane (PubChem CID 139213166) has the molecular formula C46H54NOP and a molecular weight of 667.92 g/mol. Its IUPAC name is [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
PubChem CID139213166
Molecular FormulaC46H54NOP
Molecular Weight667.92 g/mol
Exact Mass667.39
IUPAC Name[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane
SMILESCCC(CC(CC(ON1C(C)(C)CCCC1(C)C)c1ccccc1)c1ccc(P(c2ccccc2)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C46H54NOP/c1-6-36(37-20-11-7-12-21-37)34-40(35-44(39-22-13-8-14-23-39)48-47-45(2,3)32-19-33-46(47,4)5)38-28-30-43(31-29-38)49(41-24-15-9-16-25-41)42-26-17-10-18-27-42/h7-18,20-31,36,40,44H,6,19,32-35H2,1-5H3
InChIKeyNNHPWZHUNAVWBE-UHFFFAOYSA-N
XLogP11.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.92
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane?
The IUPAC name of [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane (CID 139213166) is [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane.
What is the SMILES notation for [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane?
The canonical SMILES for [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane is CCC(CC(CC(ON1C(C)(C)CCCC1(C)C)c1ccccc1)c1ccc(P(c2ccccc2)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane?
The InChIKey is NNHPWZHUNAVWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H54NOP/c1-6-36(37-20-11-7-12-21-37)34-40(35-44(39-22-13-8-14-23-39)48-47-45(2,3)32-19-33-46(47,4)5)38-28-30-43(31-29-38)49(41-24-15-9-16-25-41)42-26-17-10-18-27-42/h7-18,20-31,36,40,44H,6,19,32-35H2,1-5H3.
What are the key properties of [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane?
[4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane has a molecular weight of 667.92 g/mol, XLogP of 11.22, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1,5-diphenyl-1-(2,2,6,6-tetramethylpiperidin-1-yl)oxyheptan-3-yl]phenyl]-diphenylphosphane is sourced from PubChem (CID 139213166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).