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

C104H165ClF2N2O6Pt — CID 59621367

IUPACchloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine
SMILESCCCCCCCCCCCCOc1cc(/C=C/c2ccc(-c3[c-]c(-c4ccc(/C=C/c5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c5)cn4)c(F)cc3F)nc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.Cl[Pt+]
InChIInChI=1S/C104H165F2N2O6.ClH.Pt/c1-7-13-19-25-31-37-43-49-55-61-75-109-99-81-91(82-100(110-76-62-56-50-44-38-32-26-20-14-8-2)103(99)113-79-65-59-53-47-41-35-29-23-17-11-5)69-67-89-71-73-97(107-87-89)93-85-94(96(106)86-95(93)105)98-74-72-90(88-108-98)68-70-92-83-101(111-77-63-57-51-45-39-33-27-21-15-9-3)104(114-80-66-60-54-48-42-36-30-24-18-12-6)102(84-92)112-78-64-58-52-46-40-34-28-22-16-10-4;;/h67-74,81-84,86-88H,7-66,75-80H2,1-6H3;1H;/q-1;;+2/p-1/b69-67+,70-68+;;
InChIKeyLVHXQSSSFCDXEF-SGEOCXOASA-M
MW1808.00 g/mol
LogP34.71
Rot. Bonds78

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

chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine (PubChem CID 59621367) has the molecular formula C104H165ClF2N2O6Pt and a molecular weight of 1808.00 g/mol. Its IUPAC name is chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine.

Molecular Properties

Compound Namechloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine
PubChem CID59621367
Molecular FormulaC104H165ClF2N2O6Pt
Molecular Weight1808.00 g/mol
Exact Mass1806.20
IUPAC Namechloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine
SMILESCCCCCCCCCCCCOc1cc(/C=C/c2ccc(-c3[c-]c(-c4ccc(/C=C/c5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c5)cn4)c(F)cc3F)nc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.Cl[Pt+]
InChIInChI=1S/C104H165F2N2O6.ClH.Pt/c1-7-13-19-25-31-37-43-49-55-61-75-109-99-81-91(82-100(110-76-62-56-50-44-38-32-26-20-14-8-2)103(99)113-79-65-59-53-47-41-35-29-23-17-11-5)69-67-89-71-73-97(107-87-89)93-85-94(96(106)86-95(93)105)98-74-72-90(88-108-98)68-70-92-83-101(111-77-63-57-51-45-39-33-27-21-15-9-3)104(114-80-66-60-54-48-42-36-30-24-18-12-6)102(84-92)112-78-64-58-52-46-40-34-28-22-16-10-4;;/h67-74,81-84,86-88H,7-66,75-80H2,1-6H3;1H;/q-1;;+2/p-1/b69-67+,70-68+;;
InChIKeyLVHXQSSSFCDXEF-SGEOCXOASA-M
XLogP34.71
TPSA81.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds78
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001808.00
LogP ≤ 534.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine with MolForge

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Related Compounds

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
2-[4,6-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyrimidin-2-yl]-4,6-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyrimidine
CID 122223352
5-[(E)-2-(3,4,5-trihexoxyphenyl)ethenyl]benzene-1,3-diol
CID 10815635
2-[2,4-difluoro-5-[5-[2-(3,4,5-tridodecoxyphenyl)ethyl]-2-pyridinyl]phenyl]-5-[2-(3,4,5-tridodecoxyphenyl)ethyl]pyridine
CID 59621413
3,4,5-trihexoxybenzaldehyde
CID 15316903
5-ethenyl-1,2,3-trihexoxybenzene
CID 132596911
3,5-bis[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]benzoic acid
CID 132542510
5-[(E)-2-(4-bromophenyl)ethenyl]-1,2,3-tripropoxybenzene
CID 640261
5-methyl-1,2,3-tri(undecoxy)benzene
CID 91267120
3-[(E)-2-[3-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]phenyl]ethenyl]-5-[(E)-2-[3-[(E)-2-(3,5-dimethylphenyl)ethenyl]-5-[(E)-2-(4-dodecoxyphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 16663370
5-(chloromethyl)-1,2,3-tridodecoxybenzene
CID 66959757
(3,4,5-trioctadecoxyphenyl)methanamine
CID 86674041

Frequently Asked Questions

What is the IUPAC name of chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine?
The IUPAC name of chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine (CID 59621367) is chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine.
What is the SMILES notation for chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine?
The canonical SMILES for chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine is CCCCCCCCCCCCOc1cc(/C=C/c2ccc(-c3[c-]c(-c4ccc(/C=C/c5cc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c5)cn4)c(F)cc3F)nc2)cc(OCCCCCCCCCCCC)c1OCCCCCCCCCCCC.Cl[Pt+].
What is the InChIKey of chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine?
The InChIKey is LVHXQSSSFCDXEF-SGEOCXOASA-M. The full InChI is InChI=1S/C104H165F2N2O6.ClH.Pt/c1-7-13-19-25-31-37-43-49-55-61-75-109-99-81-91(82-100(110-76-62-56-50-44-38-32-26-20-14-8-2)103(99)113-79-65-59-53-47-41-35-29-23-17-11-5)69-67-89-71-73-97(107-87-89)93-85-94(96(106)86-95(93)105)98-74-72-90(88-108-98)68-70-92-83-101(111-77-63-57-51-45-39-33-27-21-15-9-3)104(114-80-66-60-54-48-42-36-30-24-18-12-6)102(84-92)112-78-64-58-52-46-40-34-28-22-16-10-4;;/h67-74,81-84,86-88H,7-66,75-80H2,1-6H3;1H;/q-1;;+2/p-1/b69-67+,70-68+;;.
What are the key properties of chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine?
chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine has a molecular weight of 1808.00 g/mol, XLogP of 34.71, 78 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloroplatinum(1+);2-[2,4-difluoro-5-[5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]-2-pyridinyl]benzene-6-id-1-yl]-5-[(E)-2-(3,4,5-tridodecoxyphenyl)ethenyl]pyridine is sourced from PubChem (CID 59621367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).