diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate

C38H33I2N4O2Rh — CID 18293359

IUPACdiiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate
SMILESCC(=O)[O-].CN1CN(c2ccc3ccccc3c2-c2c(N3CN(C)c4ccccc43)ccc3ccccc23)c2ccccc21.I[Rh+]I
InChIInChI=1S/C36H30N4.C2H4O2.2HI.Rh/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;1-2(3)4;;;/h3-22H,23-24H2,1-2H3;1H3,(H,3,4);2*1H;/q;;;;+3/p-3
InChIKeyLLPPTCVCBGXZBX-UHFFFAOYSA-K
MW934.42 g/mol
LogP9.28
Rot. Bonds3

About diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate

diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate (PubChem CID 18293359) has the molecular formula C38H33I2N4O2Rh and a molecular weight of 934.42 g/mol. Its IUPAC name is diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate.

Molecular Properties

Compound Namediiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate
PubChem CID18293359
Molecular FormulaC38H33I2N4O2Rh
Molecular Weight934.42 g/mol
Exact Mass933.97
IUPAC Namediiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate
SMILESCC(=O)[O-].CN1CN(c2ccc3ccccc3c2-c2c(N3CN(C)c4ccccc43)ccc3ccccc23)c2ccccc21.I[Rh+]I
InChIInChI=1S/C36H30N4.C2H4O2.2HI.Rh/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;1-2(3)4;;;/h3-22H,23-24H2,1-2H3;1H3,(H,3,4);2*1H;/q;;;;+3/p-3
InChIKeyLLPPTCVCBGXZBX-UHFFFAOYSA-K
XLogP9.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.42
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 102113073
12,29-dimethyl-12,29-diazaheptacyclo[29.3.1.114,18.02,11.03,8.019,28.020,25]hexatriaconta-1(34),2(11),3,5,7,9,14(36),15,17,19(28),20,22,24,26,31(35),32-hexadecaene
CID 58568656
18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.022,27]heptacosa-1(19),2,4,6,8(17),9,11,13,15,20,22,24,26-tridecaene
CID 58185016
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CID 164731879
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CID 175201446
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Frequently Asked Questions

What is the IUPAC name of diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate?
The IUPAC name of diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate (CID 18293359) is diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate.
What is the SMILES notation for diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate?
The canonical SMILES for diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate is CC(=O)[O-].CN1CN(c2ccc3ccccc3c2-c2c(N3CN(C)c4ccccc43)ccc3ccccc23)c2ccccc21.I[Rh+]I.
What is the InChIKey of diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate?
The InChIKey is LLPPTCVCBGXZBX-UHFFFAOYSA-K. The full InChI is InChI=1S/C36H30N4.C2H4O2.2HI.Rh/c1-37-23-39(31-17-9-7-15-29(31)37)33-21-19-25-11-3-5-13-27(25)35(33)36-28-14-6-4-12-26(28)20-22-34(36)40-24-38(2)30-16-8-10-18-32(30)40;1-2(3)4;;;/h3-22H,23-24H2,1-2H3;1H3,(H,3,4);2*1H;/q;;;;+3/p-3.
What are the key properties of diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate?
diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate has a molecular weight of 934.42 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diiodorhodium(1+);1-methyl-3-[1-[2-(3-methyl-2H-benzimidazol-1-yl)naphthalen-1-yl]naphthalen-2-yl]-2H-benzimidazole;acetate is sourced from PubChem (CID 18293359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).