bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid

C30H104BrN5O5P72 — CID 123941599

IUPACbis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.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.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(P(P)P)P(P)P
InChIInChI=1S/C17H15N3O3.C13H13BrN2O2.H41P39.H35P33/c1-20-15(17(21)22)16(23-2)14(19-20)12-7-5-11(6-8-12)13-4-3-9-18-10-13;1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-21-31(20)36(30(18)19)39(37(32(22(2)3)23(4)5)33(24(6)7)25(8)9)38(34(26(10)11)27(12)13)35(28(14)15)29(16)17;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/h3-10H,1-2H3,(H,21,22);4-7H,1-3H3;21H,1-20H2;18H,1-17H2
InChIKeyGVTPRKBSRKLOHZ-UHFFFAOYSA-N
MW2925.22 g/mol
LogP47.58
Rot. Bonds40

About bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid

bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid (PubChem CID 123941599) has the molecular formula C30H104BrN5O5P72 and a molecular weight of 2925.22 g/mol. Its IUPAC name is bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namebis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
PubChem CID123941599
Molecular FormulaC30H104BrN5O5P72
Molecular Weight2925.22 g/mol
Exact Mass2923.83
IUPAC Namebis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
SMILESCOc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.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.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(P(P)P)P(P)P
InChIInChI=1S/C17H15N3O3.C13H13BrN2O2.H41P39.H35P33/c1-20-15(17(21)22)16(23-2)14(19-20)12-7-5-11(6-8-12)13-4-3-9-18-10-13;1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-21-31(20)36(30(18)19)39(37(32(22(2)3)23(4)5)33(24(6)7)25(8)9)38(34(26(10)11)27(12)13)35(28(14)15)29(16)17;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/h3-10H,1-2H3,(H,21,22);4-7H,1-3H3;21H,1-20H2;18H,1-17H2
InChIKeyGVTPRKBSRKLOHZ-UHFFFAOYSA-N
XLogP47.58
TPSA121.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds40
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002925.22
LogP ≤ 547.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid with MolForge

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Related Compounds

4-Methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
CID 58188601
1-Methyl-4-[(4-methylphenyl)methoxy]-3-[4-(6-propanoyl-3-pyridinyl)phenyl]pyrazole-5-carboxylic acid
CID 58188733
Bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-phenylphenyl)pyrazole-5-carboxylic acid
CID 123364598
Bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-(4-bromophenyl)-4-methoxy-1-methylpyrazole-5-carboxylic acid;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone
CID 123663672
Bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphane;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;3-(6-chloro-3-pyridinyl)-4-methoxy-1-methylpyrazole-5-carboxylic acid;1-[3-(6-chloro-3-pyridinyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone
CID 123994876
2-(3-Bromophenyl)-4-hydroxy-6-methylpyrazolo[1,5-a]pyridine-5-carboxylic acid;tert-butyl 3-(3-bromophenyl)-1-(2-oxopropyl)pyrazole-5-carboxylate
CID 141418769
3-Hydroxy-4,6-bis(3-methyl-1-phenylpyrazol-4-yl)pyridine-2-carboxylic acid
CID 175581523

Frequently Asked Questions

What is the IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid (CID 123941599) is bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid is COc1c(-c2ccc(-c3cccnc3)cc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Br)cc2)nn(C)c1C(C)=O.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.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(P(P)P)P(P)P.
What is the InChIKey of bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
The InChIKey is GVTPRKBSRKLOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3.C13H13BrN2O2.H41P39.H35P33/c1-20-15(17(21)22)16(23-2)14(19-20)12-7-5-11(6-8-12)13-4-3-9-18-10-13;1-8(17)12-13(18-3)11(15-16(12)2)9-4-6-10(14)7-5-9;1-21-31(20)36(30(18)19)39(37(32(22(2)3)23(4)5)33(24(6)7)25(8)9)38(34(26(10)11)27(12)13)35(28(14)15)29(16)17;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/h3-10H,1-2H3,(H,21,22);4-7H,1-3H3;21H,1-20H2;18H,1-17H2.
What are the key properties of bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid?
bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid has a molecular weight of 2925.22 g/mol, XLogP of 47.58, 40 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis[bis[bis(phosphanyl)phosphanyl]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-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane;1-[3-(4-bromophenyl)-4-methoxy-1-methylpyrazol-5-yl]ethanone;4-methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 123941599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).