carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane

C124H174N4O6P4Pd — CID 158581040

IUPACcarbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane
SMILESC=C(C)CCC/C=C(\C)CC.C=CC(C)CC/C(C)=C/CC.C=CC(C)CC/C=C(\C)CC.CCC.CCCCOP(OCCCC)OCCCC.COc1cc(C)c(P(c2c(C)cc(OC)cc2C)c2c(C)cc(OC)cc2C)c(C)c1.[CH3-].[Pd].c1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1.c1ccc([PH+]2C(c3ccccn3)=C3CCCCC3=C2c2ccccn2)cc1
InChIInChI=1S/C27H33O3P.2C24H21N2P.C12H27O3P.3C11H20.C3H8.CH3.Pd/c1-16-10-22(28-7)11-17(2)25(16)31(26-18(3)12-23(29-8)13-19(26)4)27-20(5)14-24(30-9)15-21(27)6;2*1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22;1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-5-11(4)9-7-6-8-10(2)3;1-5-10(3)8-7-9-11(4)6-2;1-5-7-11(4)9-8-10(3)6-2;1-3-2;;/h10-15H,1-9H3;2*1-3,6-11,14-17H,4-5,12-13H2;4-12H2,1-3H3;9H,2,5-8H2,1,3-4H3;5,9-10H,1,6-8H2,2-4H3;6-7,10H,2,5,8-9H2,1,3-4H3;3H2,1-2H3;1H3;/q;;;;;;;;-1;/p+1/b;;;;2*11-9+;11-7+;;;
InChIKeyAOCZHCNNEUMJOB-ZBSRIMFLSA-O
MW2047.09 g/mol
LogP36.22
Rot. Bonds39

About carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane

carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane (PubChem CID 158581040) has the molecular formula C124H174N4O6P4Pd and a molecular weight of 2047.09 g/mol. Its IUPAC name is carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Namecarbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane
PubChem CID158581040
Molecular FormulaC124H174N4O6P4Pd
Molecular Weight2047.09 g/mol
Exact Mass2045.14
IUPAC Namecarbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane
SMILESC=C(C)CCC/C=C(\C)CC.C=CC(C)CC/C(C)=C/CC.C=CC(C)CC/C=C(\C)CC.CCC.CCCCOP(OCCCC)OCCCC.COc1cc(C)c(P(c2c(C)cc(OC)cc2C)c2c(C)cc(OC)cc2C)c(C)c1.[CH3-].[Pd].c1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1.c1ccc([PH+]2C(c3ccccn3)=C3CCCCC3=C2c2ccccn2)cc1
InChIInChI=1S/C27H33O3P.2C24H21N2P.C12H27O3P.3C11H20.C3H8.CH3.Pd/c1-16-10-22(28-7)11-17(2)25(16)31(26-18(3)12-23(29-8)13-19(26)4)27-20(5)14-24(30-9)15-21(27)6;2*1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22;1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-5-11(4)9-7-6-8-10(2)3;1-5-10(3)8-7-9-11(4)6-2;1-5-7-11(4)9-8-10(3)6-2;1-3-2;;/h10-15H,1-9H3;2*1-3,6-11,14-17H,4-5,12-13H2;4-12H2,1-3H3;9H,2,5-8H2,1,3-4H3;5,9-10H,1,6-8H2,2-4H3;6-7,10H,2,5,8-9H2,1,3-4H3;3H2,1-2H3;1H3;/q;;;;;;;;-1;/p+1/b;;;;2*11-9+;11-7+;;;
InChIKeyAOCZHCNNEUMJOB-ZBSRIMFLSA-O
XLogP36.22
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds39
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002047.09
LogP ≤ 536.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane?
The IUPAC name of carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane (CID 158581040) is carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane.
What is the SMILES notation for carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane?
The canonical SMILES for carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane is C=C(C)CCC/C=C(\C)CC.C=CC(C)CC/C(C)=C/CC.C=CC(C)CC/C=C(\C)CC.CCC.CCCCOP(OCCCC)OCCCC.COc1cc(C)c(P(c2c(C)cc(OC)cc2C)c2c(C)cc(OC)cc2C)c(C)c1.[CH3-].[Pd].c1ccc(-p2c(-c3ccccn3)c3c(c2-c2ccccn2)CCCC3)cc1.c1ccc([PH+]2C(c3ccccn3)=C3CCCCC3=C2c2ccccn2)cc1.
What is the InChIKey of carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane?
The InChIKey is AOCZHCNNEUMJOB-ZBSRIMFLSA-O. The full InChI is InChI=1S/C27H33O3P.2C24H21N2P.C12H27O3P.3C11H20.C3H8.CH3.Pd/c1-16-10-22(28-7)11-17(2)25(16)31(26-18(3)12-23(29-8)13-19(26)4)27-20(5)14-24(30-9)15-21(27)6;2*1-2-10-18(11-3-1)27-23(21-14-6-8-16-25-21)19-12-4-5-13-20(19)24(27)22-15-7-9-17-26-22;1-4-7-10-13-16(14-11-8-5-2)15-12-9-6-3;1-5-11(4)9-7-6-8-10(2)3;1-5-10(3)8-7-9-11(4)6-2;1-5-7-11(4)9-8-10(3)6-2;1-3-2;;/h10-15H,1-9H3;2*1-3,6-11,14-17H,4-5,12-13H2;4-12H2,1-3H3;9H,2,5-8H2,1,3-4H3;5,9-10H,1,6-8H2,2-4H3;6-7,10H,2,5,8-9H2,1,3-4H3;3H2,1-2H3;1H3;/q;;;;;;;;-1;/p+1/b;;;;2*11-9+;11-7+;;;.
What are the key properties of carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane?
carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane has a molecular weight of 2047.09 g/mol, XLogP of 36.22, 39 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;(6E)-2,7-dimethylnona-1,6-diene;(6E)-3,6-dimethylnona-1,6-diene;(6E)-3,7-dimethylnona-1,6-diene;palladium;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydro-2H-isophosphindol-2-ium-1-yl)pyridine;2-(2-phenyl-3-pyridin-2-yl-4,5,6,7-tetrahydroisophosphindol-1-yl)pyridine;propane;tributyl phosphite;tris(4-methoxy-2,6-dimethylphenyl)phosphane is sourced from PubChem (CID 158581040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).