[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride

C62H66Cl2N2P2Ru — CID 175687704

IUPAC[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc3ccc2CCc2ccc(c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)c2)CC3)c1.NC(c1ccccc1)C(N)c1ccccc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C48H50P2.C14H16N2.2ClH.Ru/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2
InChIKeyRNYWYINSJUUIIP-UHFFFAOYSA-L
MW1073.15 g/mol
LogP5.95
Rot. Bonds9

About [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride

[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride (PubChem CID 175687704) has the molecular formula C62H66Cl2N2P2Ru and a molecular weight of 1073.15 g/mol. Its IUPAC name is [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride.

Molecular Properties

Compound Name[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride
PubChem CID175687704
Molecular FormulaC62H66Cl2N2P2Ru
Molecular Weight1073.15 g/mol
Exact Mass1072.31
IUPAC Name[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride
SMILESCc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc3ccc2CCc2ccc(c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)c2)CC3)c1.NC(c1ccccc1)C(N)c1ccccc1.[Cl-].[Cl-].[Ru+2]
InChIInChI=1S/C48H50P2.C14H16N2.2ClH.Ru/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2
InChIKeyRNYWYINSJUUIIP-UHFFFAOYSA-L
XLogP5.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001073.15
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride with MolForge

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Related Compounds

(2,4-dimethylphenyl)-(3,5-dimethylphenyl)-[11-[(3,5-dimethylphenyl)-(3,4,5-trimethylphenyl)phosphanyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
CID 134991120
[11-di(propan-2-yl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-di(propan-2-yl)phosphane
CID 11585762
[13-[tert-butyl(dimethyl)silyl]oxy-11-diphenylphosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl]-diphenylphosphane
CID 58729439
[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
diphenyl-[11-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]phosphane
CID 11605813
methyl-[11-[methyl(diphenyl)phosphaniumyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-diphenylphosphanium
CID 134851634
N,N'-bis[4-methyl-2,6-bis[(1S)-1-phenylethyl]phenyl]ethane-1,2-diimine
CID 11331952
[12,15-bis[bis(2,6-dimethylphenyl)phosphanyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]methanol
CID 59762666
N-[(1S,2S)-2-amino-1,2-diphenylethyl]methanesulfonamide;ruthenium(1+);1,3,5-trimethylbenzene;chloride
CID 71744476
(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(6+);dichloride
CID 25029251
1-(3,5-dimethylphenyl)-2-methoxy-2-phenylethanamine
CID 116772917
6-[[(1R)-1-phenylethyl]iminomethyl]tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
CID 135511984

Frequently Asked Questions

What is the IUPAC name of [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride?
The IUPAC name of [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride (CID 175687704) is [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride.
What is the SMILES notation for [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride?
The canonical SMILES for [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride is Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2cc3ccc2CCc2ccc(c(P(c4cc(C)cc(C)c4)c4cc(C)cc(C)c4)c2)CC3)c1.NC(c1ccccc1)C(N)c1ccccc1.[Cl-].[Cl-].[Ru+2].
What is the InChIKey of [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride?
The InChIKey is RNYWYINSJUUIIP-UHFFFAOYSA-L. The full InChI is InChI=1S/C48H50P2.C14H16N2.2ClH.Ru/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;;;/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3;1-10,13-14H,15-16H2;2*1H;/q;;;;+2/p-2.
What are the key properties of [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride?
[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride has a molecular weight of 1073.15 g/mol, XLogP of 5.95, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane;1,2-diphenylethane-1,2-diamine;ruthenium(2+);dichloride is sourced from PubChem (CID 175687704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).