bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone

C26H57N4O4P25 — CID 123961777

IUPACbis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone
SMILESCOc1c(-c2ccccc2)nn(C)c1C(C)=O.COc1c(C(C)=O)nn(C)c1-c1ccccc1.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/2C13H14N2O2.H15P13.H14P12/c1-9(16)12-13(17-3)11(14-15(12)2)10-7-5-4-6-8-10;1-9(16)11-13(17-3)12(15(2)14-11)10-7-5-4-6-8-10;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h2*4-8H,1-3H3;8H,1-7H2;1-7H2
InChIKeyKJTJWMBOHSROGK-UHFFFAOYSA-N
MW1264.12 g/mol
LogP18.36
Rot. Bonds15

About bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone

bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone (PubChem CID 123961777) has the molecular formula C26H57N4O4P25 and a molecular weight of 1264.12 g/mol. Its IUPAC name is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone
PubChem CID123961777
Molecular FormulaC26H57N4O4P25
Molecular Weight1264.12 g/mol
Exact Mass1263.78
IUPAC Namebis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone
SMILESCOc1c(-c2ccccc2)nn(C)c1C(C)=O.COc1c(C(C)=O)nn(C)c1-c1ccccc1.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/2C13H14N2O2.H15P13.H14P12/c1-9(16)12-13(17-3)11(14-15(12)2)10-7-5-4-6-8-10;1-9(16)11-13(17-3)12(15(2)14-11)10-7-5-4-6-8-10;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h2*4-8H,1-3H3;8H,1-7H2;1-7H2
InChIKeyKJTJWMBOHSROGK-UHFFFAOYSA-N
XLogP18.36
TPSA88.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001264.12
LogP ≤ 518.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
The IUPAC name of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone (CID 123961777) is bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone.
What is the SMILES notation for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
The canonical SMILES for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone is COc1c(-c2ccccc2)nn(C)c1C(C)=O.COc1c(C(C)=O)nn(C)c1-c1ccccc1.PP(P)P(P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
The InChIKey is KJTJWMBOHSROGK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H14N2O2.H15P13.H14P12/c1-9(16)12-13(17-3)11(14-15(12)2)10-7-5-4-6-8-10;1-9(16)11-13(17-3)12(15(2)14-11)10-7-5-4-6-8-10;1-8-12(9(2)3)13(10(4)5)11(6)7;1-8(2)11(7)12(9(3)4)10(5)6/h2*4-8H,1-3H3;8H,1-7H2;1-7H2.
What are the key properties of bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone?
bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone has a molecular weight of 1264.12 g/mol, XLogP of 18.36, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphane;bis[bis(phosphanyl)phosphanyl]-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphane;1-(4-methoxy-1-methyl-3-phenylpyrazol-5-yl)ethanone;1-(4-methoxy-1-methyl-5-phenylpyrazol-3-yl)ethanone is sourced from PubChem (CID 123961777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).