(1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium

C57H51Cl2N3P2Ru — CID 121234186

IUPAC(1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium
SMILESC[C@@H](N)c1nc2ccccc2[nH]1.Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1.Cl[Ru]Cl
InChIInChI=1S/C48H40P2.C9H11N3.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-6(10)9-11-7-4-2-3-5-8(7)12-9;;;/h5-32H,1-4H3;2-6H,10H2,1H3,(H,11,12);2*1H;/q;;;;+2/p-2/t;6-;;;/m.1.../s1
InChIKeyNUBUXTUOLOFTOE-CHGWDSHYSA-L
MW1011.98 g/mol
LogP13.37
Rot. Bonds8

About (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium

(1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium (PubChem CID 121234186) has the molecular formula C57H51Cl2N3P2Ru and a molecular weight of 1011.98 g/mol. Its IUPAC name is (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium.

Molecular Properties

Compound Name(1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium
PubChem CID121234186
Molecular FormulaC57H51Cl2N3P2Ru
Molecular Weight1011.98 g/mol
Exact Mass1011.20
IUPAC Name(1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium
SMILESC[C@@H](N)c1nc2ccccc2[nH]1.Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1.Cl[Ru]Cl
InChIInChI=1S/C48H40P2.C9H11N3.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-6(10)9-11-7-4-2-3-5-8(7)12-9;;;/h5-32H,1-4H3;2-6H,10H2,1H3,(H,11,12);2*1H;/q;;;;+2/p-2/t;6-;;;/m.1.../s1
InChIKeyNUBUXTUOLOFTOE-CHGWDSHYSA-L
XLogP13.37
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.98
LogP ≤ 513.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis([1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982135
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 11434642
silver;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;nitrate
CID 11457162
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;1-methyl-4-propan-2-ylbenzene;ruthenium;dihydrochloride
CID 176507684
1-(1H-benzimidazol-2-yl)ethanamine;dichlororuthenium;[5-(diphenylphosphanylmethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-diphenylphosphane
CID 167994692
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;chlororuthenium(1+);1-methyl-4-propan-2-ylcyclohexane;chloride
CID 117064368
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
CID 11982149
CID 11586115
CID 11586115
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium?
The IUPAC name of (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium (CID 121234186) is (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium.
What is the SMILES notation for (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium?
The canonical SMILES for (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium is C[C@@H](N)c1nc2ccccc2[nH]1.Cc1ccc(P(c2ccc(C)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C)cc3)c3ccc(C)cc3)ccc3ccccc23)cc1.Cl[Ru]Cl.
What is the InChIKey of (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium?
The InChIKey is NUBUXTUOLOFTOE-CHGWDSHYSA-L. The full InChI is InChI=1S/C48H40P2.C9H11N3.2ClH.Ru/c1-33-13-23-39(24-14-33)49(40-25-15-34(2)16-26-40)45-31-21-37-9-5-7-11-43(37)47(45)48-44-12-8-6-10-38(44)22-32-46(48)50(41-27-17-35(3)18-28-41)42-29-19-36(4)20-30-42;1-6(10)9-11-7-4-2-3-5-8(7)12-9;;;/h5-32H,1-4H3;2-6H,10H2,1H3,(H,11,12);2*1H;/q;;;;+2/p-2/t;6-;;;/m.1.../s1.
What are the key properties of (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium?
(1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium has a molecular weight of 1011.98 g/mol, XLogP of 13.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-benzimidazol-2-yl)ethanamine;[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;dichlororuthenium is sourced from PubChem (CID 121234186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).