2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine

C93H84F14N6O4OsP2+2 — CID 159947389

IUPAC2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine
SMILESC(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CCC1=C(CC)C2=[N+]3C1=Cc1c(CC)c(CC)c4n1C31n3c(c(CC)c(CC)c3=C4)=CC3=[N+]1C(=C2)C(CC)=C3CC.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Os].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C37H44N4.C26H22P2.C22H16N2.2C4HF7O2.Os/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34-20-36-28(16-8)27(15-7)35-19-33-24(12-4)23(11-3)31-17-29(21)38(30)37(39(31)33,40(32)34)41(35)36;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*5-2(6,1(12)13)3(7,8)4(9,10)11;/h17-20H,9-16H2,1-8H3;1-22H;1-16H;2*(H,12,13);/q+2;;;;;
InChIKeyIRYCPFWMZSXCGN-UHFFFAOYSA-N
MW1867.88 g/mol
LogP17.81
Rot. Bonds21

About 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine

2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine (PubChem CID 159947389) has the molecular formula C93H84F14N6O4OsP2+2 and a molecular weight of 1867.88 g/mol. Its IUPAC name is 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine.

Molecular Properties

Compound Name2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine
PubChem CID159947389
Molecular FormulaC93H84F14N6O4OsP2+2
Molecular Weight1867.88 g/mol
Exact Mass1868.54
IUPAC Name2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine
SMILESC(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CCC1=C(CC)C2=[N+]3C1=Cc1c(CC)c(CC)c4n1C31n3c(c(CC)c(CC)c3=C4)=CC3=[N+]1C(=C2)C(CC)=C3CC.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Os].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1
InChIInChI=1S/C37H44N4.C26H22P2.C22H16N2.2C4HF7O2.Os/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34-20-36-28(16-8)27(15-7)35-19-33-24(12-4)23(11-3)31-17-29(21)38(30)37(39(31)33,40(32)34)41(35)36;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*5-2(6,1(12)13)3(7,8)4(9,10)11;/h17-20H,9-16H2,1-8H3;1-22H;1-16H;2*(H,12,13);/q+2;;;;;
InChIKeyIRYCPFWMZSXCGN-UHFFFAOYSA-N
XLogP17.81
TPSA121.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms120
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001867.88
LogP ≤ 517.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?
The IUPAC name of 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine (CID 159947389) is 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine.
What is the SMILES notation for 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?
The canonical SMILES for 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine is C(=C[PH+](c1ccccc1)c1ccccc1)[PH+](c1ccccc1)c1ccccc1.CCC1=C(CC)C2=[N+]3C1=Cc1c(CC)c(CC)c4n1C31n3c(c(CC)c(CC)c3=C4)=CC3=[N+]1C(=C2)C(CC)=C3CC.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Os].c1ccc(-c2ccnc(-c3cc(-c4ccccc4)ccn3)c2)cc1.
What is the InChIKey of 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?
The InChIKey is IRYCPFWMZSXCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44N4.C26H22P2.C22H16N2.2C4HF7O2.Os/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34-20-36-28(16-8)27(15-7)35-19-33-24(12-4)23(11-3)31-17-29(21)38(30)37(39(31)33,40(32)34)41(35)36;1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-3-7-17(8-4-1)19-11-13-23-21(15-19)22-16-20(12-14-24-22)18-9-5-2-6-10-18;2*5-2(6,1(12)13)3(7,8)4(9,10)11;/h17-20H,9-16H2,1-8H3;1-22H;1-16H;2*(H,12,13);/q+2;;;;;.
What are the key properties of 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine?
2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine has a molecular weight of 1867.88 g/mol, XLogP of 17.81, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphaniumylethenyl(diphenyl)phosphanium;bis(2,2,3,3,4,4,4-heptafluorobutanoate);4,5,9,10,14,15,19,20-octaethyl-23,25-diaza-2,22-diazoniaoctacyclo[11.9.1.11,8.13,21.02,6.016,23.018,22.011,25]pentacosa-2(6),3(24),4,7,9,11,13,15,17,19,21-undecaene;osmium;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine is sourced from PubChem (CID 159947389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).