bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane

C15H59O4P35 — CID 91046262

IUPACbis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane
SMILESCC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(OP(P)P)=CC(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C15H59O4P35/c1-7-10(17-43(52(38)47(29)30)54(49(33)34)50(35)36)5-9-6-11(16-40(21)22)8(2)13(18-41(44(23)24)51(37)46(27)28)14(12(7)15(9,3)4)19-42(45(25)26)53(39-20)48(31)32/h6,8-10,13-14,39H,5,20-38H2,1-4H3/t8-,9?,10-,13+,14+,41?,42?,43?,51?,52?,53?/m0/s1
InChIKeyFEPWZDYOBMTHLL-HJACUKRRSA-N
MW1387.72 g/mol
LogP22.61
Rot. Bonds20

About bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane

bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane (PubChem CID 91046262) has the molecular formula C15H59O4P35 and a molecular weight of 1387.72 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane
PubChem CID91046262
Molecular FormulaC15H59O4P35
Molecular Weight1387.72 g/mol
Exact Mass1387.52
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane
SMILESCC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(OP(P)P)=CC(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C
InChIInChI=1S/C15H59O4P35/c1-7-10(17-43(52(38)47(29)30)54(49(33)34)50(35)36)5-9-6-11(16-40(21)22)8(2)13(18-41(44(23)24)51(37)46(27)28)14(12(7)15(9,3)4)19-42(45(25)26)53(39-20)48(31)32/h6,8-10,13-14,39H,5,20-38H2,1-4H3/t8-,9?,10-,13+,14+,41?,42?,43?,51?,52?,53?/m0/s1
InChIKeyFEPWZDYOBMTHLL-HJACUKRRSA-N
XLogP22.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001387.72
LogP ≤ 522.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane (CID 91046262) is bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane is CC1=C2[C@@H](OP(P(P)P)P(PP)P(P)P)[C@H](OP(P(P)P)P(P)P(P)P)[C@@H](C)C(OP(P)P)=CC(C[C@@H]1OP(P(P)P(P)P)P(P(P)P)P(P)P)C2(C)C.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane?
The InChIKey is FEPWZDYOBMTHLL-HJACUKRRSA-N. The full InChI is InChI=1S/C15H59O4P35/c1-7-10(17-43(52(38)47(29)30)54(49(33)34)50(35)36)5-9-6-11(16-40(21)22)8(2)13(18-41(44(23)24)51(37)46(27)28)14(12(7)15(9,3)4)19-42(45(25)26)53(39-20)48(31)32/h6,8-10,13-14,39H,5,20-38H2,1-4H3/t8-,9?,10-,13+,14+,41?,42?,43?,51?,52?,53?/m0/s1.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane?
bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane has a molecular weight of 1387.72 g/mol, XLogP of 22.61, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[[(2R,3R,4R,9S)-2-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]oxy-3-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]oxy-5-bis(phosphanyl)phosphanyloxy-4,10,11,11-tetramethyl-9-bicyclo[5.3.1]undeca-1(10),5-dienyl]oxy-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphane is sourced from PubChem (CID 91046262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).