tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate

C68H76N8O16Rh2 — CID 139156751

IUPACtetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate
SMILESC1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)N=C1.C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)N=C1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Rh+2].[Rh+2]
InChIInChI=1S/2C22H16N4.4C4H8O2.4C2H4O2.2Rh/c2*1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20;4*1-2-6-4-3-5-1;4*1-2(3)4;;/h2*1-14,23H,(H,25,26);4*1-4H2;4*1H3,(H,3,4);;/q;;;;;;;;;;2*+2/p-4/b2*21-20-;;;;;;;;;;
InChIKeyXLUKKQCKRZWOGT-NENWCBLGSA-J
MW1467.21 g/mol
LogP5.07
Rot. Bonds6

About tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate

tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate (PubChem CID 139156751) has the molecular formula C68H76N8O16Rh2 and a molecular weight of 1467.21 g/mol. Its IUPAC name is tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate.

Molecular Properties

Compound Nametetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate
PubChem CID139156751
Molecular FormulaC68H76N8O16Rh2
Molecular Weight1467.21 g/mol
Exact Mass1466.35
IUPAC Nametetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate
SMILESC1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)N=C1.C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)N=C1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Rh+2].[Rh+2]
InChIInChI=1S/2C22H16N4.4C4H8O2.4C2H4O2.2Rh/c2*1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20;4*1-2-6-4-3-5-1;4*1-2(3)4;;/h2*1-14,23H,(H,25,26);4*1-4H2;4*1H3,(H,3,4);;/q;;;;;;;;;;2*+2/p-4/b2*21-20-;;;;;;;;;;
InChIKeyXLUKKQCKRZWOGT-NENWCBLGSA-J
XLogP5.07
TPSA348.02 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds6
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.21
LogP ≤ 55.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

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Related Compounds

bis(N,N-dimethylformamide);bis(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile);bis(rhodium(2+));tetraacetate
CID 139156749
tetrakis(1,4-dioxane);bis(2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethene-1,1,2-tricarbonitrile);bis(rhodium(2+));tetraacetate
CID 139156750
bis(3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(1,4-dioxane)
CID 139197584
dicopper;bis((Z)-4-oxopent-2-en-2-olate);bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)
CID 139197586
copper bis(3-[4-[(Z)-pyrrol-1-id-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine)
CID 139197589
ethyl 3-[[4-[5-[6-(6-methyl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-3-pyridinyl]phenyl]methylamino]propanoate
CID 68789624
N-(1-methylpiperidin-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;N-(oxan-4-yl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-amine;N-[1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 158330554
bis(tert-butyl acetate);bis(1-tert-butyl-2,3-dihydroindole);bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tetrakis(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)
CID 167564916
bis(tert-butyl acetate);1-tert-butyl-2,3-dihydroindole;bis(1-tert-butyl-2,3-dihydropyrrolo[2,3-b]pyridine);tris(1-tert-butylindole);tris(1-tert-butylpyrrolo[2,3-b]pyridine);tris(N,2-dimethylpropan-2-amine);tetrakis(2-methoxy-2-methylpropane)
CID 167629507
6,7,15,16,24,25-Hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10,12(51),13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene
CID 10725030
6,7,15,16,24,25-Hexabutyl-32,47-bis(pyridin-2-ylmethyl)-35,38,41,44-tetraoxa-2,11,20,29,32,47,49,50,51,52-decazanonacyclo[28.18.1.13,10.112,19.121,28.04,9.013,18.022,27.031,48]dopentaconta-1(48),2,4(9),5,7,10(52),11,13(18),14,16,19,21(50),22(27),23,25,28,30-heptadecaene
CID 135407207

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate?
The IUPAC name of tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate (CID 139156751) is tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate.
What is the SMILES notation for tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate?
The canonical SMILES for tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate is C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)N=C1.C1=C/C(=C(\c2ccc(-c3c[nH]c4ncccc34)cc2)c2ccc[nH]2)N=C1.C1COCCO1.C1COCCO1.C1COCCO1.C1COCCO1.CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Rh+2].[Rh+2].
What is the InChIKey of tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate?
The InChIKey is XLUKKQCKRZWOGT-NENWCBLGSA-J. The full InChI is InChI=1S/2C22H16N4.4C4H8O2.4C2H4O2.2Rh/c2*1-4-17-18(14-26-22(17)25-13-1)15-7-9-16(10-8-15)21(19-5-2-11-23-19)20-6-3-12-24-20;4*1-2-6-4-3-5-1;4*1-2(3)4;;/h2*1-14,23H,(H,25,26);4*1-4H2;4*1H3,(H,3,4);;/q;;;;;;;;;;2*+2/p-4/b2*21-20-;;;;;;;;;;.
What are the key properties of tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate?
tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate has a molecular weight of 1467.21 g/mol, XLogP of 5.07, 6 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,4-dioxane);bis(3-[4-[(Z)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine);bis(rhodium(2+));tetraacetate is sourced from PubChem (CID 139156751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).