bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine

C110H111Cl4NP4Ru2 — CID 11982149

IUPACbis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
SMILESCCN(CC)CC.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1.Cl[Ru]Cl.Cl[Ru]Cl
InChIInChI=1S/2C52H48P2.C6H15N.4ClH.2Ru/c2*1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-4-7(5-2)6-3;;;;;;/h2*9-32H,1-8H3;4-6H2,1-3H3;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyXQZRLVUIIPCVAB-UHFFFAOYSA-J
MW1914.95 g/mol
LogP27.39
Rot. Bonds17

About bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine

bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine (PubChem CID 11982149) has the molecular formula C110H111Cl4NP4Ru2 and a molecular weight of 1914.95 g/mol. Its IUPAC name is bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine.

Molecular Properties

Compound Namebis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
PubChem CID11982149
Molecular FormulaC110H111Cl4NP4Ru2
Molecular Weight1914.95 g/mol
Exact Mass1913.45
IUPAC Namebis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine
SMILESCCN(CC)CC.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1.Cl[Ru]Cl.Cl[Ru]Cl
InChIInChI=1S/2C52H48P2.C6H15N.4ClH.2Ru/c2*1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-4-7(5-2)6-3;;;;;;/h2*9-32H,1-8H3;4-6H2,1-3H3;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyXQZRLVUIIPCVAB-UHFFFAOYSA-J
XLogP27.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001914.95
LogP ≤ 527.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
acetic acid;[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;ruthenium
CID 121233606
bis(3,5-dimethylphenyl)-[1-[2-[(3,4-dimethylphenyl)-(3,5-dimethylphenyl)phosphanyl]naphthalen-1-yl]naphthalen-2-yl]phosphane
CID 22952292
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]-4-trimethylsilylnaphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 11445751
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;(2S)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine;dichlororuthenium
CID 10964284
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
[1-[2-bis(4-methoxy-3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxy-3,5-dimethylphenyl)phosphane;chlorogold
CID 135084915
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane;gold;bis(4-nitrobenzoic acid)
CID 164672630
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 11434642

Frequently Asked Questions

What is the IUPAC name of bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine?
The IUPAC name of 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) is bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine.
What is the SMILES notation for bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine?
The canonical SMILES for bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine is CCN(CC)CC.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1.Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2-c2c(P(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)ccc3ccccc23)c1.Cl[Ru]Cl.Cl[Ru]Cl.
What is the InChIKey of bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine?
The InChIKey is XQZRLVUIIPCVAB-UHFFFAOYSA-J. The full InChI is InChI=1S/2C52H48P2.C6H15N.4ClH.2Ru/c2*1-33-21-34(2)26-43(25-33)53(44-27-35(3)22-36(4)28-44)49-19-17-41-13-9-11-15-47(41)51(49)52-48-16-12-10-14-42(48)18-20-50(52)54(45-29-37(5)23-38(6)30-45)46-31-39(7)24-40(8)32-46;1-4-7(5-2)6-3;;;;;;/h2*9-32H,1-8H3;4-6H2,1-3H3;4*1H;;/q;;;;;;;2*+2/p-4.
What are the key properties of bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine?
bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine has a molecular weight of 1914.95 g/mol, XLogP of 27.39, 17 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis([1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane);bis(dichlororuthenium);N,N-diethylethanamine is sourced from PubChem (CID 11982149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).