[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine

C59H58Cl2N2P2Ru — CID 11228524

IUPAC[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine
SMILESCc1ccc(P(c2ccc(C)cc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccc(C)cc4)c4ccc(C)cc4)c32)cc1.Cl[Ru]Cl.N[C@H](c1ccccc1)[C@H](N)c1ccccc1
InChIInChI=1S/C45H42P2.C14H16N2.2ClH.Ru/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h5-26H,27-30H2,1-4H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
InChIKeyZHCXGDXHVTVUDL-ODQAEMFESA-L
MW1029.05 g/mol
LogP12.38
Rot. Bonds9

About [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine

[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine (PubChem CID 11228524) has the molecular formula C59H58Cl2N2P2Ru and a molecular weight of 1029.05 g/mol. Its IUPAC name is [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound Name[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine
PubChem CID11228524
Molecular FormulaC59H58Cl2N2P2Ru
Molecular Weight1029.05 g/mol
Exact Mass1028.25
IUPAC Name[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine
SMILESCc1ccc(P(c2ccc(C)cc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccc(C)cc4)c4ccc(C)cc4)c32)cc1.Cl[Ru]Cl.N[C@H](c1ccccc1)[C@H](N)c1ccccc1
InChIInChI=1S/C45H42P2.C14H16N2.2ClH.Ru/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h5-26H,27-30H2,1-4H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1
InChIKeyZHCXGDXHVTVUDL-ODQAEMFESA-L
XLogP12.38
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001029.05
LogP ≤ 512.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine (CID 11228524) is [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine is Cc1ccc(P(c2ccc(C)cc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccc(C)cc4)c4ccc(C)cc4)c32)cc1.Cl[Ru]Cl.N[C@H](c1ccccc1)[C@H](N)c1ccccc1.
What is the InChIKey of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine?
The InChIKey is ZHCXGDXHVTVUDL-ODQAEMFESA-L. The full InChI is InChI=1S/C45H42P2.C14H16N2.2ClH.Ru/c1-31-11-19-37(20-12-31)46(38-21-13-32(2)14-22-38)41-9-5-7-35-27-29-45(43(35)41)30-28-36-8-6-10-42(44(36)45)47(39-23-15-33(3)16-24-39)40-25-17-34(4)18-26-40;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h5-26H,27-30H2,1-4H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2/t;13-,14-;;;/m.1.../s1.
What are the key properties of [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine?
[4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine has a molecular weight of 1029.05 g/mol, XLogP of 12.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4'-bis(4-methylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 11228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).