benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium

C34H30Cl2N2Ru — CID 20598497

IUPACbenzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium
SMILESC[C@H](c1cccc2ccccc12)n1ccn([C@H](C)c2cccc3ccccc23)c1=[Ru](Cl)(Cl)=Cc1ccccc1
InChIInChI=1S/C27H24N2.C7H6.2ClH.Ru/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;1-7-5-3-2-4-6-7;;;/h3-18,20-21H,1-2H3;1-6H;2*1H;/q;;;;+2/p-2/t20-,21-;;;;/m1..../s1
InChIKeyHNWAZIRIIRWWNE-ZPVXIRCVSA-L
MW638.60 g/mol
LogP9.66
Rot. Bonds5

About benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium

benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium (PubChem CID 20598497) has the molecular formula C34H30Cl2N2Ru and a molecular weight of 638.60 g/mol. Its IUPAC name is benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium.

Molecular Properties

Compound Namebenzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium
PubChem CID20598497
Molecular FormulaC34H30Cl2N2Ru
Molecular Weight638.60 g/mol
Exact Mass638.08
IUPAC Namebenzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium
SMILESC[C@H](c1cccc2ccccc12)n1ccn([C@H](C)c2cccc3ccccc23)c1=[Ru](Cl)(Cl)=Cc1ccccc1
InChIInChI=1S/C27H24N2.C7H6.2ClH.Ru/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;1-7-5-3-2-4-6-7;;;/h3-18,20-21H,1-2H3;1-6H;2*1H;/q;;;;+2/p-2/t20-,21-;;;;/m1..../s1
InChIKeyHNWAZIRIIRWWNE-ZPVXIRCVSA-L
XLogP9.66
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.60
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E,2S)-4-phenylbut-3-en-2-yl]naphthalene
CID 102229934
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
N-[(1S)-1-naphthalen-1-ylethyl]-1-phenylmethanimine
CID 139081062
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
(Z)-2-methoxy-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylprop-2-en-1-amine
CID 68849510
1-(4-bromopentan-2-yl)naphthalene
CID 64720152
2-methyl-1-naphthalen-1-ylpropan-1-amine
CID 14948205
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
2-methyl-N-(1-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
CID 57178227
4-methyl-1-[(1R)-1-naphthalen-1-ylethyl]pyridine-4-carbaldehyde
CID 88882425
[3-(1-naphthalen-1-ylethyl)imidazol-4-yl]methanol
CID 18673646
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129

Frequently Asked Questions

What is the IUPAC name of benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium?
The IUPAC name of benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium (CID 20598497) is benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium.
What is the SMILES notation for benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium?
The canonical SMILES for benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium is C[C@H](c1cccc2ccccc12)n1ccn([C@H](C)c2cccc3ccccc23)c1=[Ru](Cl)(Cl)=Cc1ccccc1.
What is the InChIKey of benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium?
The InChIKey is HNWAZIRIIRWWNE-ZPVXIRCVSA-L. The full InChI is InChI=1S/C27H24N2.C7H6.2ClH.Ru/c1-20(24-15-7-11-22-9-3-5-13-26(22)24)28-17-18-29(19-28)21(2)25-16-8-12-23-10-4-6-14-27(23)25;1-7-5-3-2-4-6-7;;;/h3-18,20-21H,1-2H3;1-6H;2*1H;/q;;;;+2/p-2/t20-,21-;;;;/m1..../s1.
What are the key properties of benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium?
benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium has a molecular weight of 638.60 g/mol, XLogP of 9.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-[1,3-bis[(1R)-1-naphthalen-1-ylethyl]imidazol-2-ylidene]-dichlororuthenium is sourced from PubChem (CID 20598497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).