bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene

C148H198Cl4F5N8O8P2Ru4S3+3 — CID 159198051

About bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene

bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene (PubChem CID 159198051) has the molecular formula C148H198Cl4F5N8O8P2Ru4S3+3 and a molecular weight of 3016.49 g/mol. Its IUPAC name is bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene.

Molecular Properties

• Compound Name: bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene
• PubChem CID: 159198051
• Molecular Formula: C148H198Cl4F5N8O8P2Ru4S3+3
• Molecular Weight: 3016.49 g/mol
• Exact Mass: 3015.88
• IUPAC Name: bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene
• SMILES: C=[P@@H](C)c1ccc2c(c1[C@H]1c3ccccc3CC[C@H]1[P@@H](=C)C)CCCC2.CC.CC.CC.CC.CCC(C)[C@@H]([NH-])C(C)([NH-])c1ccc(OC)cc1.Cc1[c-]cc(CO)cc1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].N[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.[CH3-].[CH3-].[CH3-].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C14H22N2O.2C10H14.C9H12.C8H9O.4C2H6.3CH3.4ClH.4Ru.3H2/c1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;2*1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-5-10(2)13(15)14(3,16)11-6-8-12(17-4)9-7-11;2*1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;1-7-2-4-8(6-9)5-3-7;4*1-2;;;;;;;;;;;;;;/h5,7,9,11,14,16,21,23,25-26H,1,3,6,8,10,12-13,15H2,2,4H3;2*2-15,20-21H,22H2,1H3;1-10,18-19H,26H2;6-10,13,15-16H,5H2,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3;2,4-5,9H,6H2,1H3;4*1-2H3;3*1H3;4*1H;;;;;3*1H/q;3*-1;-2;;;;-1;;;;;3*-1;;;;;4*+4;;;/p-4/t21-,23+;2*20-,21+;18-,19+;10?,13-,14?;;;;;;;;;;;;;;;;;;;;;;/m10001....................../s1
• InChIKey: XDUVKRPGRICQRI-HHLYZLQOSA-J
• XLogP: 42.58
• TPSA: 299.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 29
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3016.49
LogP ≤ 5	42.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?

The IUPAC name of bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene (CID 159198051) is bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene.

What is the SMILES notation for bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?

The canonical SMILES for bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene is C=[P@@H](C)c1ccc2c(c1[C@H]1c3ccccc3CC[C@H]1[P@@H](=C)C)CCCC2.CC.CC.CC.CC.CCC(C)[C@@H]([NH-])C(C)([NH-])c1ccc(OC)cc1.Cc1[c-]cc(CO)cc1.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](N)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].N[C@@H](c1ccccc1)[C@H]([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.[CH3-].[CH3-].[CH3-].[H][H].[H][H].[H][H].

What is the InChIKey of bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?

The InChIKey is XDUVKRPGRICQRI-HHLYZLQOSA-J. The full InChI is InChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C14H22N2O.2C10H14.C9H12.C8H9O.4C2H6.3CH3.4ClH.4Ru.3H2/c1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;2*1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-5-10(2)13(15)14(3,16)11-6-8-12(17-4)9-7-11;2*1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;1-7-2-4-8(6-9)5-3-7;4*1-2;;;;;;;;;;;;;;/h5,7,9,11,14,16,21,23,25-26H,1,3,6,8,10,12-13,15H2,2,4H3;2*2-15,20-21H,22H2,1H3;1-10,18-19H,26H2;6-10,13,15-16H,5H2,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3;2,4-5,9H,6H2,1H3;4*1-2H3;3*1H3;4*1H;;;;;3*1H/q;3*-1;-2;;;;-1;;;;;3*-1;;;;;4*+4;;;/p-4/t21-,23+;2*20-,21+;18-,19+;10?,13-,14?;;;;;;;;;;;;;;;;;;;;;;/m10001....................../s1.

What are the key properties of bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?

bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene has a molecular weight of 3016.49 g/mol, XLogP of 42.58, 29 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for bis([(1R,2S)-2-amino-1,2-diphenylethyl]-(4-methylphenyl)sulfonylazanide);[(1R,2S)-2-amino-1,2-diphenylethyl]-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[(3R)-2-azanidyl-2-(4-methoxyphenyl)-4-methylhexan-3-yl]azanide;carbanide;tetrakis(chlororuthenium(3+));ethane;(4-methylbenzene-5-id-1-yl)methanol;methyl-methylidene-[1-[(1R,2R)-2-[methyl(methylidene)-λ5-phosphanyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-λ5-phosphane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene is sourced from PubChem (CID 159198051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).