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

C23H118Cl2N6O5P92 — CID 123994876

IUPACbis[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
SMILESCOc1c(-c2ccc(Cl)nc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Cl)nc2)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(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)P)P(P(P)P)P(P)P
InChIInChI=1S/C12H12ClN3O2.C11H10ClN3O3.H49P47.H47P45/c1-7(17)11-12(18-3)10(15-16(11)2)8-4-5-9(13)14-6-8;1-15-9(11(16)17)10(18-2)8(14-15)6-3-4-7(12)13-5-6;1-25-37(24)43(36(22)23)46(42(34(18)19)35(20)21)47(44(38(26(2)3)27(4)5)39(28(6)7)29(8)9)45(40(30(10)11)31(12)13)41(32(14)15)33(16)17;1-24-36(25(2)3)42(37(26(4)5)27(6)7)45(43(38(28(8)9)29(10)11)39(30(12)13)31(14)15)44(40(32(16)17)33(18)19)41(34(20)21)35(22)23/h4-6H,1-3H3;3-5H,1-2H3,(H,16,17);25H,1-24H2;24H,1-23H2
InChIKeyQVAVFSGJQCRODW-UHFFFAOYSA-N
MW3479.75 g/mol
LogP57.72
Rot. Bonds49

About 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

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 (PubChem CID 123994876) has the molecular formula C23H118Cl2N6O5P92 and a molecular weight of 3479.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis[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
PubChem CID123994876
Molecular FormulaC23H118Cl2N6O5P92
Molecular Weight3479.75 g/mol
Exact Mass3478.44
IUPAC Namebis[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
SMILESCOc1c(-c2ccc(Cl)nc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Cl)nc2)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(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)P)P(P(P)P)P(P)P
InChIInChI=1S/C12H12ClN3O2.C11H10ClN3O3.H49P47.H47P45/c1-7(17)11-12(18-3)10(15-16(11)2)8-4-5-9(13)14-6-8;1-15-9(11(16)17)10(18-2)8(14-15)6-3-4-7(12)13-5-6;1-25-37(24)43(36(22)23)46(42(34(18)19)35(20)21)47(44(38(26(2)3)27(4)5)39(28(6)7)29(8)9)45(40(30(10)11)31(12)13)41(32(14)15)33(16)17;1-24-36(25(2)3)42(37(26(4)5)27(6)7)45(43(38(28(8)9)29(10)11)39(30(12)13)31(14)15)44(40(32(16)17)33(18)19)41(34(20)21)35(22)23/h4-6H,1-3H3;3-5H,1-2H3,(H,16,17);25H,1-24H2;24H,1-23H2
InChIKeyQVAVFSGJQCRODW-UHFFFAOYSA-N
XLogP57.72
TPSA134.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds49
Heavy Atoms128
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003479.75
LogP ≤ 557.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

3-(6-Chloro-3-pyridinyl)-4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 58188513
4-Methoxy-1-methyl-3-(4-pyridin-3-ylphenyl)pyrazole-5-carboxylic acid
CID 58188601
6-[[2-(4-Chlorophenyl)-6-methoxypyrazolo[1,5-a]pyridin-3-yl]methyl]pyridine-2-carboxylic acid
CID 86704865
4-Chloro-6-[(6-methoxy-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 86704884
Ethyl 3-(6-chloro-3-pyridinyl)-4-methoxy-1-methylpyrazole-5-carboxylate
CID 88573715
Ethyl 5-(6-chloro-3-pyridinyl)-4-methoxy-1-methylpyrazole-3-carboxylate
CID 117713872
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1c(-c2ccc(Cl)nc2)nn(C)c1C(=O)O.COc1c(-c2ccc(Cl)nc2)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(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)P)P(P(P)P)P(P)P.
What is the InChIKey of 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?
The InChIKey is QVAVFSGJQCRODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2.C11H10ClN3O3.H49P47.H47P45/c1-7(17)11-12(18-3)10(15-16(11)2)8-4-5-9(13)14-6-8;1-15-9(11(16)17)10(18-2)8(14-15)6-3-4-7(12)13-5-6;1-25-37(24)43(36(22)23)46(42(34(18)19)35(20)21)47(44(38(26(2)3)27(4)5)39(28(6)7)29(8)9)45(40(30(10)11)31(12)13)41(32(14)15)33(16)17;1-24-36(25(2)3)42(37(26(4)5)27(6)7)45(43(38(28(8)9)29(10)11)39(30(12)13)31(14)15)44(40(32(16)17)33(18)19)41(34(20)21)35(22)23/h4-6H,1-3H3;3-5H,1-2H3,(H,16,17);25H,1-24H2;24H,1-23H2.
What are the key properties of 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?
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 has a molecular weight of 3479.75 g/mol, XLogP of 57.72, 49 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 123994876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).