1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride

C98H150Cl5IN11O9P3Ru2S+2 — CID 157304219

About 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride (PubChem CID 157304219) has the molecular formula C98H150Cl5IN11O9P3Ru2S+2 and a molecular weight of 2257.64 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride.

Molecular Properties

• Compound Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride
• PubChem CID: 157304219
• Molecular Formula: C98H150Cl5IN11O9P3Ru2S+2
• Molecular Weight: 2257.64 g/mol
• Exact Mass: 2255.61
• IUPAC Name: 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride
• SMILES: C.C.C1CN([PH+](N2CCOCC2)N2CCOCC2)CCO1.C1CN([PH+](N2CCOCC2)N2CCOCC2)CCO1.C1CN([PH+](N2CCOCC2)N2CCOCC2)CCO1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CCCSI.Cl.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C27H39N2.2C15H10.3C12H24N3O3P.C3H7IS.2CH4.5ClH.2Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-7-16-8-2-13(1)19(14-3-9-17-10-4-14)15-5-11-18-12-6-15;1-2-3-5-4;;;;;;;;;/h9-14,17-21H,15-16H2,1-8H3;2*1-9,11H;3*1-12H2;2-3H2,1H3;2*1H4;5*1H;;/q-1;;;;;;;;;;;;;;2*+2/p-1
• InChIKey: RWQXJZUTFYSDSO-UHFFFAOYSA-M
• XLogP: 20.78
• TPSA: 118.71 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 19
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2257.64
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride?

The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride (CID 157304219) is 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride.

What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride?

The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride is C.C.C1CN([PH+](N2CCOCC2)N2CCOCC2)CCO1.C1CN([PH+](N2CCOCC2)N2CCOCC2)CCO1.C1CN([PH+](N2CCOCC2)N2CCOCC2)CCO1.CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)CC1.CCCSI.Cl.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.Cl[Ru](Cl)=C1C=C(c2ccccc2)c2ccccc21.

What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride?

The InChIKey is RWQXJZUTFYSDSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H39N2.2C15H10.3C12H24N3O3P.C3H7IS.2CH4.5ClH.2Ru/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)15;3*1-7-16-8-2-13(1)19(14-3-9-17-10-4-14)15-5-11-18-12-6-15;1-2-3-5-4;;;;;;;;;/h9-14,17-21H,15-16H2,1-8H3;2*1-9,11H;3*1-12H2;2-3H2,1H3;2*1H4;5*1H;;/q-1;;;;;;;;;;;;;;2*+2/p-1.

What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride?

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride has a molecular weight of 2257.64 g/mol, XLogP of 20.78, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidin-2-ide;bis(dichloro-(3-phenylinden-1-ylidene)ruthenium);methane;propyl thiohypoiodite;tris(trimorpholin-4-ylphosphanium);hydrochloride is sourced from PubChem (CID 157304219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).