(2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium

C54H50Cl2N2O2P2Ru+2 — CID 59408225

IUPAC(2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium
SMILESCl[Ru+2]Cl.[NH-]C(c1ccccc1)C([NH-])c1ccccc1.c1ccc([PH+](c2ccccc2)c2cccc3c2-c2c(cccc2[PH+](c2ccccc2)c2ccccc2)OCCCCO3)cc1
InChIInChI=1S/C40H34O2P2.C14H14N2.2ClH.Ru/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-12,15-28H,13-14,29-30H2;1-10,13-16H;2*1H;/q;-2;;;+4
InChIKeyRHQQXHWTCMQTHS-UHFFFAOYSA-N
MW992.93 g/mol
LogP12.84
Rot. Bonds9

About (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium

(2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium (PubChem CID 59408225) has the molecular formula C54H50Cl2N2O2P2Ru+2 and a molecular weight of 992.93 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium.

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium
PubChem CID59408225
Molecular FormulaC54H50Cl2N2O2P2Ru+2
Molecular Weight992.93 g/mol
Exact Mass992.18
IUPAC Name(2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium
SMILESCl[Ru+2]Cl.[NH-]C(c1ccccc1)C([NH-])c1ccccc1.c1ccc([PH+](c2ccccc2)c2cccc3c2-c2c(cccc2[PH+](c2ccccc2)c2ccccc2)OCCCCO3)cc1
InChIInChI=1S/C40H34O2P2.C14H14N2.2ClH.Ru/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-12,15-28H,13-14,29-30H2;1-10,13-16H;2*1H;/q;-2;;;+4
InChIKeyRHQQXHWTCMQTHS-UHFFFAOYSA-N
XLogP12.84
TPSA66.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500992.93
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium (CID 59408225) is (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium.
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium is Cl[Ru+2]Cl.[NH-]C(c1ccccc1)C([NH-])c1ccccc1.c1ccc([PH+](c2ccccc2)c2cccc3c2-c2c(cccc2[PH+](c2ccccc2)c2ccccc2)OCCCCO3)cc1.
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium?
The InChIKey is RHQQXHWTCMQTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34O2P2.C14H14N2.2ClH.Ru/c1-5-17-31(18-6-1)43(32-19-7-2-8-20-32)37-27-15-25-35-39(37)40-36(42-30-14-13-29-41-35)26-16-28-38(40)44(33-21-9-3-10-22-33)34-23-11-4-12-24-34;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h1-12,15-28H,13-14,29-30H2;1-10,13-16H;2*1H;/q;-2;;;+4.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium?
(2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium has a molecular weight of 992.93 g/mol, XLogP of 12.84, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)azanide;dichlororuthenium(2+);(18-diphenylphosphaniumyl-8,13-dioxatricyclo[12.4.0.02,7]octadeca-1(14),2(7),3,5,15,17-hexaen-3-yl)-diphenylphosphanium is sourced from PubChem (CID 59408225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).