octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole

C223H167BCl8N20O12Pt8S+8 — CID 161388175

IUPACoctakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole
SMILESC[n+]1cc(-c2cnc(-c3ccccc3)o2)ccc1-c1[c-]c(Oc2ccccn2)ccc1.C[n+]1cc(-c2ncc(-c3ccccc3)o2)ccc1-c1[c-]c(Oc2ccccn2)ccc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc(-c3ccccc3)cc2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc3c(c2)oc2ccccc23)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc3sc4ccccc4c3c2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ncc(-c3ccccc3)o2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(B2C=CN(c3ccccc3)C=C2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2cccc[n+]2C)[c-]c1Oc1ccccn1.Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+]
InChIInChI=1S/C31H26N2O.C29H20N2O2.C29H20N2OS.C29H22N2O.C27H22BN3O.3C26H19N3O2.8ClH.8Pt/c1-22-19-26(24-11-5-4-6-12-24)20-23(2)31(22)27-16-15-25(28-13-8-10-18-33(28)3)21-29(27)34-30-14-7-9-17-32-30;1-31-17-7-5-9-25(31)21-13-14-22(27(19-21)33-29-11-4-6-16-30-29)20-12-15-24-23-8-2-3-10-26(23)32-28(24)18-20;1-31-17-7-5-9-25(31)21-12-14-22(26(19-21)32-29-11-4-6-16-30-29)20-13-15-28-24(18-20)23-8-2-3-10-27(23)33-28;1-31-20-8-6-11-27(31)25-17-18-26(28(21-25)32-29-12-5-7-19-30-29)24-15-13-23(14-16-24)22-9-3-2-4-10-22;1-30-18-8-6-11-25(30)22-13-14-24(26(21-22)32-27-12-5-7-17-29-27)28-15-19-31(20-16-28)23-9-3-2-4-10-23;1-29-16-8-6-11-22(29)20-13-14-21(23(17-20)30-25-12-5-7-15-27-25)26-28-18-24(31-26)19-9-3-2-4-10-19;1-29-18-21(24-17-28-26(31-24)19-8-3-2-4-9-19)13-14-23(29)20-10-7-11-22(16-20)30-25-12-5-6-15-27-25;1-29-18-21(26-28-17-24(31-26)19-8-3-2-4-9-19)13-14-23(29)20-10-7-11-22(16-20)30-25-12-5-6-15-27-25;;;;;;;;;;;;;;;;/h4-20H,1-3H3;2*2-18H,1H3;2*2-20H,1H3;2-16,18H,1H3;2*2-15,17-18H,1H3;8*1H;;;;;;;;/q;;;;;;;;;;;;;;;;8*+2/p-8
InChIKeyYTFHNLUZZZFLLL-UHFFFAOYSA-F
MW5206.04 g/mol
LogP54.00
Rot. Bonds38

About octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole

octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole (PubChem CID 161388175) has the molecular formula C223H167BCl8N20O12Pt8S+8 and a molecular weight of 5206.04 g/mol. Its IUPAC name is octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Nameoctakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole
PubChem CID161388175
Molecular FormulaC223H167BCl8N20O12Pt8S+8
Molecular Weight5206.04 g/mol
Exact Mass5198.75
IUPAC Nameoctakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole
SMILESC[n+]1cc(-c2cnc(-c3ccccc3)o2)ccc1-c1[c-]c(Oc2ccccn2)ccc1.C[n+]1cc(-c2ncc(-c3ccccc3)o2)ccc1-c1[c-]c(Oc2ccccn2)ccc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc(-c3ccccc3)cc2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc3c(c2)oc2ccccc23)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc3sc4ccccc4c3c2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ncc(-c3ccccc3)o2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(B2C=CN(c3ccccc3)C=C2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2cccc[n+]2C)[c-]c1Oc1ccccn1.Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+]
InChIInChI=1S/C31H26N2O.C29H20N2O2.C29H20N2OS.C29H22N2O.C27H22BN3O.3C26H19N3O2.8ClH.8Pt/c1-22-19-26(24-11-5-4-6-12-24)20-23(2)31(22)27-16-15-25(28-13-8-10-18-33(28)3)21-29(27)34-30-14-7-9-17-32-30;1-31-17-7-5-9-25(31)21-13-14-22(27(19-21)33-29-11-4-6-16-30-29)20-12-15-24-23-8-2-3-10-26(23)32-28(24)18-20;1-31-17-7-5-9-25(31)21-12-14-22(26(19-21)32-29-11-4-6-16-30-29)20-13-15-28-24(18-20)23-8-2-3-10-27(23)33-28;1-31-20-8-6-11-27(31)25-17-18-26(28(21-25)32-29-12-5-7-19-30-29)24-15-13-23(14-16-24)22-9-3-2-4-10-22;1-30-18-8-6-11-25(30)22-13-14-24(26(21-22)32-27-12-5-7-17-29-27)28-15-19-31(20-16-28)23-9-3-2-4-10-23;1-29-16-8-6-11-22(29)20-13-14-21(23(17-20)30-25-12-5-7-15-27-25)26-28-18-24(31-26)19-9-3-2-4-10-19;1-29-18-21(24-17-28-26(31-24)19-8-3-2-4-9-19)13-14-23(29)20-10-7-11-22(16-20)30-25-12-5-6-15-27-25;1-29-18-21(26-28-17-24(31-26)19-8-3-2-4-9-19)13-14-23(29)20-10-7-11-22(16-20)30-25-12-5-6-15-27-25;;;;;;;;;;;;;;;;/h4-20H,1-3H3;2*2-18H,1H3;2*2-20H,1H3;2-16,18H,1H3;2*2-15,17-18H,1H3;8*1H;;;;;;;;/q;;;;;;;;;;;;;;;;8*+2/p-8
InChIKeyYTFHNLUZZZFLLL-UHFFFAOYSA-F
XLogP54.00
TPSA302.47 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms273
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005206.04
LogP ≤ 554.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(chloroplatinum(1+));2-(2-dibenzofuran-3-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-(2-dibenzothiophen-2-yl-5-pyridin-2-ylbenzene-6-id-1-yl)oxypyridine;2-[2-(2,6-dimethyl-4-phenylphenyl)-5-pyridin-2-ylbenzene-6-id-1-yl]oxypyridine
CID 158452911
3-dibenzofuran-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-phenyl-6-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 158998789
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
tetrakis(chloropalladium(1+));2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;2-[3-[4-(4-phenylphenyl)triazol-1-yl]benzene-2-id-1-yl]oxypyridine;2-[3-[4-(4-phenylphenyl)triazol-2-yl]benzene-2-id-1-yl]oxypyridine
CID 159577001
N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164976974
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
2-dibenzofuran-3-yl-4-[8-(2-dibenzothiophen-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,3,5-triazine
CID 170192686
2-[7-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 170192387
3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]-6-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-9-phenylcarbazole
CID 90265537
3-[9-(6-dibenzofuran-3-yl-4-phenyl-2-pyridinyl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 168768114
3-dibenzofuran-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 165052012
3-dibenzofuran-4-yl-7-(4-dibenzothiophen-2-ylphenyl)dibenzofuran;2-[3-[7-(4-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]phenyl]dibenzofuran;2-[3-(7-dibenzothiophen-3-yldibenzothiophen-3-yl)phenyl]dibenzofuran;3-dibenzothiophen-3-yl-7-(1-phenyldibenzothiophen-3-yl)dibenzofuran
CID 165104594

Frequently Asked Questions

What is the IUPAC name of octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole?
The IUPAC name of octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole (CID 161388175) is octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole?
The canonical SMILES for octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole is C[n+]1cc(-c2cnc(-c3ccccc3)o2)ccc1-c1[c-]c(Oc2ccccn2)ccc1.C[n+]1cc(-c2ncc(-c3ccccc3)o2)ccc1-c1[c-]c(Oc2ccccn2)ccc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc(-c3ccccc3)cc2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc3c(c2)oc2ccccc23)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ccc3sc4ccccc4c3c2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(-c2ncc(-c3ccccc3)o2)cc1.C[n+]1ccccc1-c1[c-]c(Oc2ccccn2)c(B2C=CN(c3ccccc3)C=C2)cc1.Cc1cc(-c2ccccc2)cc(C)c1-c1ccc(-c2cccc[n+]2C)[c-]c1Oc1ccccn1.Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].Cl[Pt+].
What is the InChIKey of octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole?
The InChIKey is YTFHNLUZZZFLLL-UHFFFAOYSA-F. The full InChI is InChI=1S/C31H26N2O.C29H20N2O2.C29H20N2OS.C29H22N2O.C27H22BN3O.3C26H19N3O2.8ClH.8Pt/c1-22-19-26(24-11-5-4-6-12-24)20-23(2)31(22)27-16-15-25(28-13-8-10-18-33(28)3)21-29(27)34-30-14-7-9-17-32-30;1-31-17-7-5-9-25(31)21-13-14-22(27(19-21)33-29-11-4-6-16-30-29)20-12-15-24-23-8-2-3-10-26(23)32-28(24)18-20;1-31-17-7-5-9-25(31)21-12-14-22(26(19-21)32-29-11-4-6-16-30-29)20-13-15-28-24(18-20)23-8-2-3-10-27(23)33-28;1-31-20-8-6-11-27(31)25-17-18-26(28(21-25)32-29-12-5-7-19-30-29)24-15-13-23(14-16-24)22-9-3-2-4-10-22;1-30-18-8-6-11-25(30)22-13-14-24(26(21-22)32-27-12-5-7-17-29-27)28-15-19-31(20-16-28)23-9-3-2-4-10-23;1-29-16-8-6-11-22(29)20-13-14-21(23(17-20)30-25-12-5-7-15-27-25)26-28-18-24(31-26)19-9-3-2-4-10-19;1-29-18-21(24-17-28-26(31-24)19-8-3-2-4-9-19)13-14-23(29)20-10-7-11-22(16-20)30-25-12-5-6-15-27-25;1-29-18-21(26-28-17-24(31-26)19-8-3-2-4-9-19)13-14-23(29)20-10-7-11-22(16-20)30-25-12-5-6-15-27-25;;;;;;;;;;;;;;;;/h4-20H,1-3H3;2*2-18H,1H3;2*2-20H,1H3;2-16,18H,1H3;2*2-15,17-18H,1H3;8*1H;;;;;;;;/q;;;;;;;;;;;;;;;;8*+2/p-8.
What are the key properties of octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole?
octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole has a molecular weight of 5206.04 g/mol, XLogP of 54.00, 38 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(chloroplatinum(1+));2-(4-dibenzofuran-3-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-(4-dibenzothiophen-2-yl-3-pyridin-2-yloxybenzene-2-id-1-yl)-1-methylpyridin-1-ium;2-[4-(2,6-dimethyl-4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]-1-methylpyridin-1-ium;1-methyl-2-[4-(4-phenylphenyl)-3-pyridin-2-yloxybenzene-2-id-1-yl]pyridin-1-ium;4-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-1-phenyl-1,4-azaborinine;2-[4-(1-methylpyridin-1-ium-2-yl)-2-pyridin-2-yloxybenzene-3-id-1-yl]-5-phenyl-1,3-oxazole;2-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-5-phenyl-1,3-oxazole;5-[1-methyl-6-(3-pyridin-2-yloxybenzene-2-id-1-yl)pyridin-1-ium-3-yl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 161388175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).