1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol

C21H26O2P2 — CID 145489348

IUPAC1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol
SMILESCC1(C)CC2(CC(C)(C)c3cc(O)c(P)cc32)c2cc(O)c(P)cc21
InChIInChI=1S/C21H26O2P2/c1-19(2)9-21(14-8-18(25)15(22)5-11(14)19)10-20(3,4)12-7-17(24)16(23)6-13(12)21/h5-8,22-23H,9-10,24-25H2,1-4H3
InChIKeyRCBQYNZPECCXDV-UHFFFAOYSA-N
MW372.39 g/mol
LogP3.75
Rot. Bonds

About 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol

1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol (PubChem CID 145489348) has the molecular formula C21H26O2P2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol.

Molecular Properties

Compound Name1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol
PubChem CID145489348
Molecular FormulaC21H26O2P2
Molecular Weight372.39 g/mol
Exact Mass372.14
IUPAC Name1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol
SMILESCC1(C)CC2(CC(C)(C)c3cc(O)c(P)cc32)c2cc(O)c(P)cc21
InChIInChI=1S/C21H26O2P2/c1-19(2)9-21(14-8-18(25)15(22)5-11(14)19)10-20(3,4)12-7-17(24)16(23)6-13(12)21/h5-8,22-23H,9-10,24-25H2,1-4H3
InChIKeyRCBQYNZPECCXDV-UHFFFAOYSA-N
XLogP3.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
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 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol?
The IUPAC name of 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol (CID 145489348) is 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol.
What is the SMILES notation for 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol?
The canonical SMILES for 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol is CC1(C)CC2(CC(C)(C)c3cc(O)c(P)cc32)c2cc(O)c(P)cc21.
What is the InChIKey of 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol?
The InChIKey is RCBQYNZPECCXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2P2/c1-19(2)9-21(14-8-18(25)15(22)5-11(14)19)10-20(3,4)12-7-17(24)16(23)6-13(12)21/h5-8,22-23H,9-10,24-25H2,1-4H3.
What are the key properties of 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol?
1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol has a molecular weight of 372.39 g/mol, XLogP of 3.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1',1',3,3-tetramethyl-6,6'-bis(phosphanyl)-1,3'-spirobi[2H-indene]-5,5'-diol is sourced from PubChem (CID 145489348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).