bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)

C64H92O8Rh2 — CID 139119980

IUPACbis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)
SMILESCC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.[Rh+2].[Rh+2]
InChIInChI=1S/4C16H24O2.2Rh/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;;/h4*7-11H,1-6H3,(H,17,18);;/q;;;;2*+2/p-4
InChIKeyPJJOSUGRKGYJNJ-UHFFFAOYSA-J
MW1195.24 g/mol
LogP13.68
Rot. Bonds16

About bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)

bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate) (PubChem CID 139119980) has the molecular formula C64H92O8Rh2 and a molecular weight of 1195.24 g/mol. Its IUPAC name is bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate).

Molecular Properties

Compound Namebis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)
PubChem CID139119980
Molecular FormulaC64H92O8Rh2
Molecular Weight1195.24 g/mol
Exact Mass1194.49
IUPAC Namebis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)
SMILESCC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.[Rh+2].[Rh+2]
InChIInChI=1S/4C16H24O2.2Rh/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;;/h4*7-11H,1-6H3,(H,17,18);;/q;;;;2*+2/p-4
InChIKeyPJJOSUGRKGYJNJ-UHFFFAOYSA-J
XLogP13.68
TPSA160.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001195.24
LogP ≤ 513.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,2,4,5-Tetrakis(4-carboxyphenyl)benzene
CID 45377724
chi,chi-Caroten-18,18'-dioate
CID 44237247
Basolite(R) Z377
CID 163323435
4,4',6,6'-Tetramethylbiphenyl-2,2'-dicarboxylic acid
CID 139056422
3',4',5',6'-Tetrakis(4-carboxyphenyl)-[1,1':2',1''-terphenyl]-4,4''-dicarboxylic acid
CID 15471410
2,2'-Diphenylbiphenyl-4,4'-dicarboxylic acid
CID 70288692
Tris (4-carboxyphenyl)benzene
CID 86024169
1,2,3,4-Tetrakis(4-carboxyphenyl)benzene
CID 90002633
5'-(4-Carboxyphenyl)-2',4',6'-trimethyl-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
CID 91258592
2',3"-Dimethyl-[1,1':4',1":4",1"'-quaterphenyl]-4,4"'-dicarboxylic acid
CID 122378741
3'',4'',5'',6''-Tetrakis(4'-carboxy[1,1'-biphenyl]-4-yl)[1,1':4',1'':2'',1''':4''',1''''-quinquephenyl]-4,4''''-dicarboxylic acid
CID 134821679
Dimethyl 2',2'',5',5''-tetramethyl-[1,1':4',1'':4'',1'''-quaterphenyl]-4,4'''-dicarboxylate
CID 142611840

Frequently Asked Questions

What is the IUPAC name of bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)?
The IUPAC name of bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate) (CID 139119980) is bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate).
What is the SMILES notation for bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)?
The canonical SMILES for bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate) is CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.[Rh+2].[Rh+2].
What is the InChIKey of bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)?
The InChIKey is PJJOSUGRKGYJNJ-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H24O2.2Rh/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;;/h4*7-11H,1-6H3,(H,17,18);;/q;;;;2*+2/p-4.
What are the key properties of bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate)?
bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate) has a molecular weight of 1195.24 g/mol, XLogP of 13.68, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(rhodium(2+));tetrakis(2,4,6-tri(propan-2-yl)benzoate) is sourced from PubChem (CID 139119980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).