About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone (PubChem CID 123781044) has the molecular formula C37H140Br3N6O6P99
and a molecular weight of 4071.70 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone.
Molecular Properties
| Compound Name | bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone |
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| PubChem CID | 123781044 |
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| Molecular Formula | C37H140Br3N6O6P99 |
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| Molecular Weight | 4071.70 g/mol |
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| Exact Mass | 4068.24 |
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| IUPAC Name | bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone |
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| SMILES | CC(=O)c1[nH]nc(-c2ccc(Br)cc2)c1O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.COc1c(C(C)=O)nn(C)c1-c1ccc(Br)cc1.PP(P)P(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PP(P)P(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P |
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| InChI | InChI=1S/2C13H13BrN2O2.C11H9BrN2O2.H36P34.H35P33.H34P32/c1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-8(17)11-13(18-3)12(16(2)15-11)9-4-6-10(14)7-5-9;1-6(15)9-11(16)10(14-13-9)7-2-4-8(12)5-3-7;1-19(2)28(20(3)4)32(27(17)18)34(31(25(13)14)26(15)16)33(29(21(5)6)22(7)8)30(23(9)10)24(11)12;1-18-27(19(2)3)31(26(16)17)33(30(24(12)13)25(14)15)32(28(20(4)5)21(6)7)29(22(8)9)23(10)11;1-18(2)26(17)30(25(15)16)32(29(23(11)12)24(13)14)31(27(19(3)4)20(5)6)28(21(7)8)22(9)10/h2*4-7H,1-3H3;2-5,16H,1H3,(H,13,14);1-18H2;18H,1-17H2;1-17H2 |
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| InChIKey | OIVNQGWKRJYPBH-UHFFFAOYSA-N |
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| XLogP | 66.02 |
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| TPSA | 154.22 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 52 |
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| Heavy Atoms | 151 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 4071.70 |
| LogP ≤ 5 | 66.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Analyze bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone (CID 123781044) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone is CC(=O)c1[nH]nc(-c2ccc(Br)cc2)c1O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.COc1c(C(C)=O)nn(C)c1-c1ccc(Br)cc1.PP(P)P(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PP(P)P(P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
The InChIKey is OIVNQGWKRJYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13BrN2O2.C11H9BrN2O2.H36P34.H35P33.H34P32/c1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-8(17)11-13(18-3)12(16(2)15-11)9-4-6-10(14)7-5-9;1-6(15)9-11(16)10(14-13-9)7-2-4-8(12)5-3-7;1-19(2)28(20(3)4)32(27(17)18)34(31(25(13)14)26(15)16)33(29(21(5)6)22(7)8)30(23(9)10)24(11)12;1-18-27(19(2)3)31(26(16)17)33(30(24(12)13)25(14)15)32(28(20(4)5)21(6)7)29(22(8)9)23(10)11;1-18(2)26(17)30(25(15)16)32(29(23(11)12)24(13)14)31(27(19(3)4)20(5)6)28(21(7)8)22(9)10/h2*4-7H,1-3H3;2-5,16H,1H3,(H,13,14);1-18H2;18H,1-17H2;1-17H2.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone has a molecular weight of 4071.70 g/mol, XLogP of 66.02, 52 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-bis(phosphanyl)phosphanylphosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-hydroxy-1H-pyrazol-5-yl]ethanone;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-bromophenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 123781044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).