[(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane

C49H76GeNOP — CID 139132649

IUPAC[(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)c1cc(C(C)C)c([Ge@@]2(C(C)(C)C)ON(C(C)(C)C)[C@H](c3ccccc3)/C2=P\c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C49H76GeNOP/c1-31(2)35-27-37(32(3)4)41(38(28-35)33(5)6)50(48(16,17)18)44(42(34-25-23-22-24-26-34)51(52-50)49(19,20)21)53-43-39(46(10,11)12)29-36(45(7,8)9)30-40(43)47(13,14)15/h22-33,42H,1-21H3/t42-,50-/m1/s1
InChIKeyJSKYZEQURVOZHT-MKVVGXHPSA-N
MW798.74 g/mol
LogP13.67
Rot. Bonds6

About [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane

[(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane (PubChem CID 139132649) has the molecular formula C49H76GeNOP and a molecular weight of 798.74 g/mol. Its IUPAC name is [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane.

Molecular Properties

Compound Name[(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
PubChem CID139132649
Molecular FormulaC49H76GeNOP
Molecular Weight798.74 g/mol
Exact Mass799.49
IUPAC Name[(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane
SMILESCC(C)c1cc(C(C)C)c([Ge@@]2(C(C)(C)C)ON(C(C)(C)C)[C@H](c3ccccc3)/C2=P\c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C49H76GeNOP/c1-31(2)35-27-37(32(3)4)41(38(28-35)33(5)6)50(48(16,17)18)44(42(34-25-23-22-24-26-34)51(52-50)49(19,20)21)53-43-39(46(10,11)12)29-36(45(7,8)9)30-40(43)47(13,14)15/h22-33,42H,1-21H3/t42-,50-/m1/s1
InChIKeyJSKYZEQURVOZHT-MKVVGXHPSA-N
XLogP13.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.74
LogP ≤ 513.67
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 [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
The IUPAC name of [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane (CID 139132649) is [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane.
What is the SMILES notation for [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
The canonical SMILES for [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane is CC(C)c1cc(C(C)C)c([Ge@@]2(C(C)(C)C)ON(C(C)(C)C)[C@H](c3ccccc3)/C2=P\c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
The InChIKey is JSKYZEQURVOZHT-MKVVGXHPSA-N. The full InChI is InChI=1S/C49H76GeNOP/c1-31(2)35-27-37(32(3)4)41(38(28-35)33(5)6)50(48(16,17)18)44(42(34-25-23-22-24-26-34)51(52-50)49(19,20)21)53-43-39(46(10,11)12)29-36(45(7,8)9)30-40(43)47(13,14)15/h22-33,42H,1-21H3/t42-,50-/m1/s1.
What are the key properties of [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane?
[(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane has a molecular weight of 798.74 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-2,5-ditert-butyl-3-phenyl-5-[2,4,6-tri(propan-2-yl)phenyl]-1,2,5-oxazagermolidin-4-ylidene]-(2,4,6-tritert-butylphenyl)phosphane is sourced from PubChem (CID 139132649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).