chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate

C83H103ClF2N2O11Pt — CID 153144640

IUPACchloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate
SMILESCCCCCCCCCCCCOc1cc(C(=O)Oc2ccc(OC(=O)c3ccc(-c4[c-]c(-c5ccc(C(=O)Oc6ccc(OC(=O)c7cc(C)c(OCCCCCCCCCCCC)c(C)c7)cc6)cn5)c(F)cc4F)nc3)cc2)cc(C)c1OCCCCCCCCCCCC.Cl[Pt+]
InChIInChI=1S/C83H103F2N2O11.ClH.Pt/c1-7-10-13-16-19-22-25-28-31-34-49-92-77-55-66(54-62(6)79(77)94-51-36-33-30-27-24-21-18-15-12-9-3)83(91)98-70-45-41-68(42-46-70)96-81(89)64-38-48-76(87-59-64)72-56-71(73(84)57-74(72)85)75-47-37-63(58-86-75)80(88)95-67-39-43-69(44-40-67)97-82(90)65-52-60(4)78(61(5)53-65)93-50-35-32-29-26-23-20-17-14-11-8-2;;/h37-48,52-55,57-59H,7-36,49-51H2,1-6H3;1H;/q-1;;+2/p-1
InChIKeyIWOQPAUBSFHGCH-UHFFFAOYSA-M
MW1573.27 g/mol
LogP23.28
Rot. Bonds46

About chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate

chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate (PubChem CID 153144640) has the molecular formula C83H103ClF2N2O11Pt and a molecular weight of 1573.27 g/mol. Its IUPAC name is chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namechloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate
PubChem CID153144640
Molecular FormulaC83H103ClF2N2O11Pt
Molecular Weight1573.27 g/mol
Exact Mass1571.69
IUPAC Namechloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate
SMILESCCCCCCCCCCCCOc1cc(C(=O)Oc2ccc(OC(=O)c3ccc(-c4[c-]c(-c5ccc(C(=O)Oc6ccc(OC(=O)c7cc(C)c(OCCCCCCCCCCCC)c(C)c7)cc6)cn5)c(F)cc4F)nc3)cc2)cc(C)c1OCCCCCCCCCCCC.Cl[Pt+]
InChIInChI=1S/C83H103F2N2O11.ClH.Pt/c1-7-10-13-16-19-22-25-28-31-34-49-92-77-55-66(54-62(6)79(77)94-51-36-33-30-27-24-21-18-15-12-9-3)83(91)98-70-45-41-68(42-46-70)96-81(89)64-38-48-76(87-59-64)72-56-71(73(84)57-74(72)85)75-47-37-63(58-86-75)80(88)95-67-39-43-69(44-40-67)97-82(90)65-52-60(4)78(61(5)53-65)93-50-35-32-29-26-23-20-17-14-11-8-2;;/h37-48,52-55,57-59H,7-36,49-51H2,1-6H3;1H;/q-1;;+2/p-1
InChIKeyIWOQPAUBSFHGCH-UHFFFAOYSA-M
XLogP23.28
TPSA158.67 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds46
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001573.27
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

(4-dodecoxy-3,5-dimethylphenyl) 6-[5-[5-(3,4-didodecoxy-5-methylphenoxy)carbonyl-2-pyridinyl]-2,4-difluorophenyl]pyridine-3-carboxylate
CID 157326877
4-(3,4,5-trioctoxybenzoyl)oxybenzoic acid
CID 102424803
[4-[4-[4-[4-(3,4,5-tridodecoxybenzoyl)oxyphenyl]phenoxy]carbonylphenyl]phenyl] 3,4,5-tridodecoxybenzoate
CID 101268924
chloroplatinum(1+);[4-[6-[3-[5-[4-(4-octoxybenzoyl)oxyphenyl]-2-pyridinyl]benzene-2-id-1-yl]-3-pyridinyl]phenyl] 4-octoxybenzoate
CID 59621402
(4-heptoxyphenyl) 3-fluoro-4-octoxybenzoate
CID 23220712
(4-methylphenyl) 6-decoxypyridine-3-carboxylate
CID 20667991
(3-fluoro-4-octoxyphenyl) 4-decoxybenzoate;(3-fluoro-4-octoxyphenyl) 4-undecoxybenzoate
CID 88595179
(3-fluoro-4-hexoxyphenyl) 4-hexoxybenzoate
CID 54470472
[4-(4-octoxyphenyl)phenyl] 3-fluoro-4-pentoxybenzoate
CID 19846982
(4-decoxyphenyl) 6-[(2S)-octan-2-yl]oxypyridine-3-carboxylate
CID 22845778
(4-methylphenyl) 3-fluoro-4-pentoxybenzoate
CID 71386436
[4-(4-hydroxyphenyl)phenyl] 3,4,5-tri(tetradecoxy)benzoate
CID 102089189

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate?
The IUPAC name of chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate (CID 153144640) is chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate?
The canonical SMILES for chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate is CCCCCCCCCCCCOc1cc(C(=O)Oc2ccc(OC(=O)c3ccc(-c4[c-]c(-c5ccc(C(=O)Oc6ccc(OC(=O)c7cc(C)c(OCCCCCCCCCCCC)c(C)c7)cc6)cn5)c(F)cc4F)nc3)cc2)cc(C)c1OCCCCCCCCCCCC.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate?
The InChIKey is IWOQPAUBSFHGCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C83H103F2N2O11.ClH.Pt/c1-7-10-13-16-19-22-25-28-31-34-49-92-77-55-66(54-62(6)79(77)94-51-36-33-30-27-24-21-18-15-12-9-3)83(91)98-70-45-41-68(42-46-70)96-81(89)64-38-48-76(87-59-64)72-56-71(73(84)57-74(72)85)75-47-37-63(58-86-75)80(88)95-67-39-43-69(44-40-67)97-82(90)65-52-60(4)78(61(5)53-65)93-50-35-32-29-26-23-20-17-14-11-8-2;;/h37-48,52-55,57-59H,7-36,49-51H2,1-6H3;1H;/q-1;;+2/p-1.
What are the key properties of chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate?
chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate has a molecular weight of 1573.27 g/mol, XLogP of 23.28, 46 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);[4-(4-dodecoxy-3,5-dimethylbenzoyl)oxyphenyl] 6-[5-[5-[4-(3,4-didodecoxy-5-methylbenzoyl)oxyphenoxy]carbonyl-2-pyridinyl]-2,4-difluorobenzene-6-id-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 153144640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).