argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)

C95H96Ar6Cl4N2O2P2Ru2-6 — CID 161129880

IUPACargon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)
SMILESCc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru]Cl.Cl[Ru]Cl.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[CH2-][C@@H](C(C)C)C([NH-])(c1ccc(OC)cc1)c1ccc(OC)cc1.[CH2-][C@H](c1ccccc1)C([NH-])c1ccccc1.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12
InChIInChI=1S/2C21H16P.C20H25NO2.C15H15N.2C9H12.6Ar.4ClH.2Ru/c2*1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22;1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17;1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14;2*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;/h2*2-13H,1,22H2;6-15,21H,3H2,1-2,4-5H3;2-12,15-16H,1H2;2*4-6H,1-3H3;;;;;;;4*1H;;/q2*-1;2*-2;;;;;;;;;;;;;2*+2/p-4/t;;15-;12-,15?;;;;;;;;;;;;;;/m..01............../s1
InChIKeyQBKVPEUUHOCMOK-HAKKKGIESA-J
MW1943.41 g/mol
LogP28.17
Rot. Bonds11

About argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)

argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) (PubChem CID 161129880) has the molecular formula C95H96Ar6Cl4N2O2P2Ru2-6 and a molecular weight of 1943.41 g/mol. Its IUPAC name is argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene).

Molecular Properties

Compound Nameargon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)
PubChem CID161129880
Molecular FormulaC95H96Ar6Cl4N2O2P2Ru2-6
Molecular Weight1943.41 g/mol
Exact Mass1942.16
IUPAC Nameargon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)
SMILESCc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru]Cl.Cl[Ru]Cl.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[CH2-][C@@H](C(C)C)C([NH-])(c1ccc(OC)cc1)c1ccc(OC)cc1.[CH2-][C@H](c1ccccc1)C([NH-])c1ccccc1.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12
InChIInChI=1S/2C21H16P.C20H25NO2.C15H15N.2C9H12.6Ar.4ClH.2Ru/c2*1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22;1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17;1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14;2*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;/h2*2-13H,1,22H2;6-15,21H,3H2,1-2,4-5H3;2-12,15-16H,1H2;2*4-6H,1-3H3;;;;;;;4*1H;;/q2*-1;2*-2;;;;;;;;;;;;;2*+2/p-4/t;;15-;12-,15?;;;;;;;;;;;;;;/m..01............../s1
InChIKeyQBKVPEUUHOCMOK-HAKKKGIESA-J
XLogP28.17
TPSA66.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001943.41
LogP ≤ 528.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)?
The IUPAC name of argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) (CID 161129880) is argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene).
What is the SMILES notation for argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)?
The canonical SMILES for argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) is Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru]Cl.Cl[Ru]Cl.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[CH2-][C@@H](C(C)C)C([NH-])(c1ccc(OC)cc1)c1ccc(OC)cc1.[CH2-][C@H](c1ccccc1)C([NH-])c1ccccc1.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12.
What is the InChIKey of argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)?
The InChIKey is QBKVPEUUHOCMOK-HAKKKGIESA-J. The full InChI is InChI=1S/2C21H16P.C20H25NO2.C15H15N.2C9H12.6Ar.4ClH.2Ru/c2*1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22;1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17;1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14;2*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;/h2*2-13H,1,22H2;6-15,21H,3H2,1-2,4-5H3;2-12,15-16H,1H2;2*4-6H,1-3H3;;;;;;;4*1H;;/q2*-1;2*-2;;;;;;;;;;;;;2*+2/p-4/t;;15-;12-,15?;;;;;;;;;;;;;;/m..01............../s1.
What are the key properties of argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene)?
argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) has a molecular weight of 1943.41 g/mol, XLogP of 28.17, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) is sourced from PubChem (CID 161129880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).