bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone

C30H75N4O4P35 — CID 123731213

IUPACbis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone
SMILESCCc1ccc(-c2c(OC)c(C(C)=O)nn2C)cc1.CCc1ccc(-c2nn(C)c(C(C)=O)c2OC)cc1.PP(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
InChIInChI=1S/2C15H18N2O2.H20P18.H19P17/c1-5-11-6-8-12(9-7-11)13-15(19-4)14(10(2)18)17(3)16-13;1-5-11-6-8-12(9-7-11)14-15(19-4)13(10(2)18)16-17(14)3;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7/h2*6-9H,5H2,1-4H3;1-10H2;10H,1-9H2
InChIKeyIVOMEBIWYSKWNL-UHFFFAOYSA-N
MW1640.04 g/mol
LogP25.42
Rot. Bonds22

About bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone

bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone (PubChem CID 123731213) has the molecular formula C30H75N4O4P35 and a molecular weight of 1640.04 g/mol. Its IUPAC name is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone
PubChem CID123731213
Molecular FormulaC30H75N4O4P35
Molecular Weight1640.04 g/mol
Exact Mass1639.66
IUPAC Namebis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone
SMILESCCc1ccc(-c2c(OC)c(C(C)=O)nn2C)cc1.CCc1ccc(-c2nn(C)c(C(C)=O)c2OC)cc1.PP(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
InChIInChI=1S/2C15H18N2O2.H20P18.H19P17/c1-5-11-6-8-12(9-7-11)13-15(19-4)14(10(2)18)17(3)16-13;1-5-11-6-8-12(9-7-11)14-15(19-4)13(10(2)18)16-17(14)3;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7/h2*6-9H,5H2,1-4H3;1-10H2;10H,1-9H2
InChIKeyIVOMEBIWYSKWNL-UHFFFAOYSA-N
XLogP25.42
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001640.04
LogP ≤ 525.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
The IUPAC name of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone (CID 123731213) is bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone.
What is the SMILES notation for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
The canonical SMILES for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone is CCc1ccc(-c2c(OC)c(C(C)=O)nn2C)cc1.CCc1ccc(-c2nn(C)c(C(C)=O)c2OC)cc1.PP(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.
What is the InChIKey of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
The InChIKey is IVOMEBIWYSKWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H18N2O2.H20P18.H19P17/c1-5-11-6-8-12(9-7-11)13-15(19-4)14(10(2)18)17(3)16-13;1-5-11-6-8-12(9-7-11)14-15(19-4)13(10(2)18)16-17(14)3;1-11(2)16(12(3)4)18(15(9)10)17(13(5)6)14(7)8;1-10-15(11(2)3)17(14(8)9)16(12(4)5)13(6)7/h2*6-9H,5H2,1-4H3;1-10H2;10H,1-9H2.
What are the key properties of bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone?
bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone has a molecular weight of 1640.04 g/mol, XLogP of 25.42, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-bis(phosphanyl)phosphanylphosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;1-[3-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;1-[5-(4-ethylphenyl)-4-methoxy-1-methylpyrazol-3-yl]ethanone is sourced from PubChem (CID 123731213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).