argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene

C44H48Ar3ClNO5PRu-4 — CID 159122567

About argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene

argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene (PubChem CID 159122567) has the molecular formula C44H48Ar3ClNO5PRu-4 and a molecular weight of 958.21 g/mol. Its IUPAC name is argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene.

Molecular Properties

• Compound Name: argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene
• PubChem CID: 159122567
• Molecular Formula: C44H48Ar3ClNO5PRu-4
• Molecular Weight: 958.21 g/mol
• Exact Mass: 958.09
• IUPAC Name: argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene
• SMILES: Cc1cc(C)cc(C)c1.Cl[Ru].[Ar].[Ar].[Ar].[CH2-][C@H](C(C)C)C([NH-])(c1[c-]cc(C)cc1)c1ccc(OC)cc1.[CH2-]c1ccc2c(c1-c1c(P)ccc3c1OCO3)OCO2
• InChI: InChI=1S/C20H24NO.C15H12O4P.C9H12.3Ar.ClH.Ru/c1-14(2)16(4)20(21,17-8-6-15(3)7-9-17)18-10-12-19(22-5)13-11-18;1-8-2-3-9-14(18-6-16-9)12(8)13-11(20)5-4-10-15(13)19-7-17-10;1-7-4-8(2)6-9(3)5-7;;;;;/h6-8,10-14,16,21H,4H2,1-3,5H3;2-5H,1,6-7,20H2;4-6H,1-3H3;;;;1H;/q-3;-1;;;;;;+1/p-1/t16-,20?;;;;;;;/m1......./s1
• InChIKey: HBFCPYCYFLUUEZ-UREUPPGOSA-M
• XLogP: 11.00
• TPSA: 69.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	958.21
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene?

The IUPAC name of argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene (CID 159122567) is argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene.

What is the SMILES notation for argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene?

The canonical SMILES for argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.Cl[Ru].[Ar].[Ar].[Ar].[CH2-][C@H](C(C)C)C([NH-])(c1[c-]cc(C)cc1)c1ccc(OC)cc1.[CH2-]c1ccc2c(c1-c1c(P)ccc3c1OCO3)OCO2.

What is the InChIKey of argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene?

The InChIKey is HBFCPYCYFLUUEZ-UREUPPGOSA-M. The full InChI is InChI=1S/C20H24NO.C15H12O4P.C9H12.3Ar.ClH.Ru/c1-14(2)16(4)20(21,17-8-6-15(3)7-9-17)18-10-12-19(22-5)13-11-18;1-8-2-3-9-14(18-6-16-9)12(8)13-11(20)5-4-10-15(13)19-7-17-10;1-7-4-8(2)6-9(3)5-7;;;;;/h6-8,10-14,16,21H,4H2,1-3,5H3;2-5H,1,6-7,20H2;4-6H,1-3H3;;;;1H;/q-3;-1;;;;;;+1/p-1/t16-,20?;;;;;;;/m1......./s1.

What are the key properties of argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene?

argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene has a molecular weight of 958.21 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for argon;chlororuthenium;[4-(5-methanidyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;[(2R)-2-methanidyl-1-(4-methoxyphenyl)-3-methyl-1-(4-methylbenzene-6-id-1-yl)butyl]azanide;1,3,5-trimethylbenzene is sourced from PubChem (CID 159122567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).