(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum

C25H33O2P2Pt- — CID 134991964

IUPAC(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum
SMILESC[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.O=[C-]c1ccccc1O.[Pt]
InChIInChI=1S/C18H28P2.C7H5O2.Pt/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;8-5-6-3-1-2-4-7(6)9;/h5-8,13-16H,9-12H2,1-4H3;1-4,9H;/q;-1;/t13-,14-,15-,16-;;/m1../s1
InChIKeyOSTBKRCCEKETEJ-HHFFVDSRSA-N
MW622.56 g/mol
LogP5.89
Rot. Bonds3

About (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum

(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum (PubChem CID 134991964) has the molecular formula C25H33O2P2Pt- and a molecular weight of 622.56 g/mol. Its IUPAC name is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum.

Molecular Properties

Compound Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum
PubChem CID134991964
Molecular FormulaC25H33O2P2Pt-
Molecular Weight622.56 g/mol
Exact Mass622.16
IUPAC Name(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum
SMILESC[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.O=[C-]c1ccccc1O.[Pt]
InChIInChI=1S/C18H28P2.C7H5O2.Pt/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;8-5-6-3-1-2-4-7(6)9;/h5-8,13-16H,9-12H2,1-4H3;1-4,9H;/q;-1;/t13-,14-,15-,16-;;/m1../s1
InChIKeyOSTBKRCCEKETEJ-HHFFVDSRSA-N
XLogP5.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum?
The IUPAC name of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum (CID 134991964) is (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum.
What is the SMILES notation for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum?
The canonical SMILES for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum is C[C@@H]1CC[C@@H](C)P1c1ccccc1P1[C@H](C)CC[C@H]1C.O=[C-]c1ccccc1O.[Pt].
What is the InChIKey of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum?
The InChIKey is OSTBKRCCEKETEJ-HHFFVDSRSA-N. The full InChI is InChI=1S/C18H28P2.C7H5O2.Pt/c1-13-9-10-14(2)19(13)17-7-5-6-8-18(17)20-15(3)11-12-16(20)4;8-5-6-3-1-2-4-7(6)9;/h5-8,13-16H,9-12H2,1-4H3;1-4,9H;/q;-1;/t13-,14-,15-,16-;;/m1../s1.
What are the key properties of (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum?
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum has a molecular weight of 622.56 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]phenyl]-2,5-dimethylphospholane;(2-hydroxyphenyl)methanone;platinum is sourced from PubChem (CID 134991964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).