chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate

C71H111ClN2O5Pt — CID 59621385

IUPACchloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate
SMILESCCCCCCCCCCCCOC(=O)c1ccc(-c2[c-]c(-c3ccc(-c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cn3)ccc2)nc1.Cl[Pt+]
InChIInChI=1S/C71H111N2O5.ClH.Pt/c1-5-9-13-17-21-25-29-33-37-41-52-75-68-57-65(58-69(76-53-42-38-34-30-26-22-18-14-10-6-2)70(68)77-54-43-39-35-31-27-23-19-15-11-7-3)63-48-50-66(72-59-63)61-46-45-47-62(56-61)67-51-49-64(60-73-67)71(74)78-55-44-40-36-32-28-24-20-16-12-8-4;;/h45-51,57-60H,5-44,52-55H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyYLTWODLTVTWIAP-UHFFFAOYSA-M
MW1303.21 g/mol
LogP22.94
Rot. Bonds51

About chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate

chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate (PubChem CID 59621385) has the molecular formula C71H111ClN2O5Pt and a molecular weight of 1303.21 g/mol. Its IUPAC name is chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namechloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate
PubChem CID59621385
Molecular FormulaC71H111ClN2O5Pt
Molecular Weight1303.21 g/mol
Exact Mass1301.78
IUPAC Namechloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate
SMILESCCCCCCCCCCCCOC(=O)c1ccc(-c2[c-]c(-c3ccc(-c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cn3)ccc2)nc1.Cl[Pt+]
InChIInChI=1S/C71H111N2O5.ClH.Pt/c1-5-9-13-17-21-25-29-33-37-41-52-75-68-57-65(58-69(76-53-42-38-34-30-26-22-18-14-10-6-2)70(68)77-54-43-39-35-31-27-23-19-15-11-7-3)63-48-50-66(72-59-63)61-46-45-47-62(56-61)67-51-49-64(60-73-67)71(74)78-55-44-40-36-32-28-24-20-16-12-8-4;;/h45-51,57-60H,5-44,52-55H2,1-4H3;1H;/q-1;;+2/p-1
InChIKeyYLTWODLTVTWIAP-UHFFFAOYSA-M
XLogP22.94
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds51
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001303.21
LogP ≤ 522.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride
CID 45264635
Methyl 3-[2-methyl-1-(3,4,5-trimethoxybenzoyl)indolizin-3-yl]propanoate
CID 2421557
Ethyl 7-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
CID 118723952
Ethyl 8-cyano-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
CID 118723959
(10aS,11R)-9-acetyl-11-(7-methoxy-1,3-benzodioxol-5-yl)-10a,11-dihydro-10H-pyrazino[1,2-g][1,6]naphthyridin-5-one
CID 166632571
[4-[(5R,5aR,8aR)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] pyridine-3-carboxylate
CID 44247919
6-[2-(3,5-Bis-benzyloxy-phenyl)-ethyl]-nicotinic acid
CID 44400835
[7-Methoxy-4-[7-methoxy-5-[[6-(trifluoromethyl)pyridine-3-carbonyl]oxymethyl]-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 60156109
[4-[[(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-2-oxooxolan-3-yl]methyl]-2-methoxyphenyl] pyridine-3-carboxylate
CID 73350539
Ethyl 6-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
CID 118723953
Ethyl 8-methyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
CID 118723954
Ethyl 6,8-dimethyl-3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate
CID 118723955

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate?
The IUPAC name of chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate (CID 59621385) is chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate?
The canonical SMILES for chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate is CCCCCCCCCCCCOC(=O)c1ccc(-c2[c-]c(-c3ccc(-c4cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c4)cn3)ccc2)nc1.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate?
The InChIKey is YLTWODLTVTWIAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C71H111N2O5.ClH.Pt/c1-5-9-13-17-21-25-29-33-37-41-52-75-68-57-65(58-69(76-53-42-38-34-30-26-22-18-14-10-6-2)70(68)77-54-43-39-35-31-27-23-19-15-11-7-3)63-48-50-66(72-59-63)61-46-45-47-62(56-61)67-51-49-64(60-73-67)71(74)78-55-44-40-36-32-28-24-20-16-12-8-4;;/h45-51,57-60H,5-44,52-55H2,1-4H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate?
chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate has a molecular weight of 1303.21 g/mol, XLogP of 22.94, 51 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);dodecyl 6-[3-[5-(3,4,5-tridodecoxyphenyl)-2-pyridinyl]benzene-2-id-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 59621385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).