2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine

C191H126N14O10Pt5S — CID 160652993

IUPAC2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine
SMILESCc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3nccc4ccccc34)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-c1nc2ccccc2s1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-n1cccn1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-n1nccn1
InChIInChI=1S/C48H34N2O2.C41H29N3O2.C37H22N2O2S.C33H21N3O2.C32H20N4O2.5Pt/c1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-28-12-9-13-29(2)40(28)30-24-32(44-23-11-22-43-44)27-34(25-30)45-33-15-10-14-31(26-33)41(39-20-7-8-21-42-39)35-16-3-5-18-37(35)46-38-19-6-4-17-36(38)41;1-4-18-32-29(15-1)37(35-21-7-8-22-38-35,30-16-2-5-19-33(30)41-32)26-12-10-14-28(24-26)40-27-13-9-11-25(23-27)36-39-31-17-3-6-20-34(31)42-36;1-3-16-30-28(14-1)33(32-18-5-6-19-34-32,29-15-2-4-17-31(29)38-30)24-10-7-12-26(22-24)37-27-13-8-11-25(23-27)36-21-9-20-35-36;1-3-15-29-27(13-1)32(31-17-5-6-18-33-31,28-14-2-4-16-30(28)38-29)23-9-7-11-25(21-23)37-26-12-8-10-24(22-26)36-34-19-20-35-36;;;;;/h4-28H,1-3H3;3-25H,1-2H3;1-22H;1-21H;1-20H;;;;;/q5*-2;5*+2
InChIKeyHSMXEIFERLFSDB-UHFFFAOYSA-N
MW3784.65 g/mol
LogP44.12
Rot. Bonds27

About 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine

2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine (PubChem CID 160652993) has the molecular formula C191H126N14O10Pt5S and a molecular weight of 3784.65 g/mol. Its IUPAC name is 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine.

Molecular Properties

Compound Name2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine
PubChem CID160652993
Molecular FormulaC191H126N14O10Pt5S
Molecular Weight3784.65 g/mol
Exact Mass3781.77
IUPAC Name2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine
SMILESCc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3nccc4ccccc34)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-c1nc2ccccc2s1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-n1cccn1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-n1nccn1
InChIInChI=1S/C48H34N2O2.C41H29N3O2.C37H22N2O2S.C33H21N3O2.C32H20N4O2.5Pt/c1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-28-12-9-13-29(2)40(28)30-24-32(44-23-11-22-43-44)27-34(25-30)45-33-15-10-14-31(26-33)41(39-20-7-8-21-42-39)35-16-3-5-18-37(35)46-38-19-6-4-17-36(38)41;1-4-18-32-29(15-1)37(35-21-7-8-22-38-35,30-16-2-5-19-33(30)41-32)26-12-10-14-28(24-26)40-27-13-9-11-25(23-27)36-39-31-17-3-6-20-34(31)42-36;1-3-16-30-28(14-1)33(32-18-5-6-19-34-32,29-15-2-4-17-31(29)38-30)24-10-7-12-26(22-24)37-27-13-8-11-25(23-27)36-21-9-20-35-36;1-3-15-29-27(13-1)32(31-17-5-6-18-33-31,28-14-2-4-16-30(28)38-29)23-9-7-11-25(21-23)37-26-12-8-10-24(22-26)36-34-19-20-35-36;;;;;/h4-28H,1-3H3;3-25H,1-2H3;1-22H;1-21H;1-20H;;;;;/q5*-2;5*+2
InChIKeyHSMXEIFERLFSDB-UHFFFAOYSA-N
XLogP44.12
TPSA248.88 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003784.65
LogP ≤ 544.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine 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

N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(3-tert-butylbenzene-6-id-1-yl)methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;1-(3,5-ditert-butylbenzene-6-id-1-yl)-N-[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]methanimine;tetrakis(platinum(2+))
CID 157071985
4-tert-butyl-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]pyridine;2-[9-[3-[3-(2,6-dimethylphenyl)-5-[4-[2,6-di(propan-2-yl)phenyl]triazol-1-yl]benzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;(1R,7S)-4-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene;tetrakis(platinum(2+));2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-1,3-benzothiazole
CID 157119600
2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
CID 157467243
N,N-bis(4-tert-butylphenyl)-2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-4-amine;4-tert-butyl-2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;2-[3-(2,6-dimethylphenyl)-5-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-1,3-benzothiazole;tetrakis(platinum(2+));9-[2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4-pyridinyl]carbazole
CID 158032253
Pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]thioxanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;3-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[3-[3-(9-pyridin-2-ylthioxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]quinoline
CID 158403131
2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[4-(3H-isoquinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;platinum
CID 158548358
2-[2,7-Ditert-butyl-9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;1-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline;3-[3-[3-(2,7-ditert-butyl-9-pyridin-2-ylfluoren-9-yl)phenoxy]-5-(2,4,6-trimethylphenyl)phenyl]isoquinoline
CID 158890452
2-[9-[3-[3-(2,6-Dimethylphenyl)-5-pyrazol-1-ylphenoxy]phenyl]fluoren-9-yl]pyridine;2-[9-[3-(3-pyrazol-1-ylphenoxy)phenyl]fluoren-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylfluoren-9-yl)phenoxy]phenyl]-1,3-benzothiazole;2-[9-[3-[3-(triazol-1-yl)phenoxy]phenyl]fluoren-9-yl]pyridine;2-[9-[3-[3-(triazol-2-yl)phenoxy]phenyl]fluoren-9-yl]pyridine
CID 158934620
N-[2-[4-(3H-1-benzofuran-3-id-2-yl)-6-tert-butyl-1,3-benzothiazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-[4-(3H-1-benzothiophen-3-id-2-yl)-6-tert-butyl-1,3-benzothiazol-2-yl]phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;4-tert-butyl-2-[[2-(6-phenyl-4-phenyl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;N-[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;N-[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]-1-(8H-phenanthren-8-id-9-yl)methanimine;platinum;tetrakis(platinum(2+))
CID 159467311
2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-6-tert-butyl-1,3-benzothiazol-2-yl]phenyl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-isoquinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)phenyl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-[6-tert-butyl-4-(3H-quinolin-3-id-4-yl)-1,3-benzothiazol-2-yl]phenyl]iminomethyl]phenol;platinum
CID 160087462
2,7-Ditert-butyl-10-(4-tert-butylphenyl)-9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]-9-pyridin-2-ylacridine;2-[3-[3-[2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-ylacridin-9-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;2,7-ditert-butyl-10-(4-tert-butylphenyl)-9-pyridin-2-yl-9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]acridine;tris(platinum(2+))
CID 160156722
2-[[2-[4-(3H-1-benzofuran-3-id-2-yl)-6-tert-butyl-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]-4-tert-butylphenol;2-[[2-[4-(3H-1-benzothiophen-3-id-2-yl)-6-tert-butyl-1,3-benzothiazol-2-yl]naphthalen-1-yl]iminomethyl]-4-tert-butylphenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrazol-2-id-3-yl-1,3-benzothiazol-2-yl)naphthalen-1-yl]iminomethyl]phenol;2,4-ditert-butyl-6-[[2-(6-tert-butyl-4-pyrrol-1-id-2-yl-1,3-benzothiazol-2-yl)naphthalen-1-yl]iminomethyl]phenol;platinum
CID 160355503

Frequently Asked Questions

What is the IUPAC name of 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine?
The IUPAC name of 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine (CID 160652993) is 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine.
What is the SMILES notation for 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine?
The canonical SMILES for 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine is Cc1cc(C)c(-c2cc(Oc3[c-]c(C4(c5ccccn5)c5ccccc5Oc5ccccc54)ccc3)[c-]c(-c3nccc4ccccc34)c2)c(C)c1.Cc1cccc(C)c1-c1cc(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)[c-]c(-n2cccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-c1nc2ccccc2s1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-n1cccn1.[c-]1c(Oc2[c-]c(C3(c4ccccn4)c4ccccc4Oc4ccccc43)ccc2)cccc1-n1nccn1.
What is the InChIKey of 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine?
The InChIKey is HSMXEIFERLFSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2O2.C41H29N3O2.C37H22N2O2S.C33H21N3O2.C32H20N4O2.5Pt/c1-31-25-32(2)46(33(3)26-31)35-27-36(47-40-16-5-4-13-34(40)22-24-50-47)29-39(28-35)51-38-15-12-14-37(30-38)48(45-21-10-11-23-49-45)41-17-6-8-19-43(41)52-44-20-9-7-18-42(44)48;1-28-12-9-13-29(2)40(28)30-24-32(44-23-11-22-43-44)27-34(25-30)45-33-15-10-14-31(26-33)41(39-20-7-8-21-42-39)35-16-3-5-18-37(35)46-38-19-6-4-17-36(38)41;1-4-18-32-29(15-1)37(35-21-7-8-22-38-35,30-16-2-5-19-33(30)41-32)26-12-10-14-28(24-26)40-27-13-9-11-25(23-27)36-39-31-17-3-6-20-34(31)42-36;1-3-16-30-28(14-1)33(32-18-5-6-19-34-32,29-15-2-4-17-31(29)38-30)24-10-7-12-26(22-24)37-27-13-8-11-25(23-27)36-21-9-20-35-36;1-3-15-29-27(13-1)32(31-17-5-6-18-33-31,28-14-2-4-16-30(28)38-29)23-9-7-11-25(21-23)37-26-12-8-10-24(22-26)36-34-19-20-35-36;;;;;/h4-28H,1-3H3;3-25H,1-2H3;1-22H;1-21H;1-20H;;;;;/q5*-2;5*+2.
What are the key properties of 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine?
2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine has a molecular weight of 3784.65 g/mol, XLogP of 44.12, 27 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[3-[3-(2,6-dimethylphenyl)-5-pyrazol-1-ylbenzene-6-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;pentakis(platinum(2+));2-[9-[3-(3-pyrazol-1-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine;2-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-1,3-benzothiazole;1-[3-[3-(9-pyridin-2-ylxanthen-9-yl)benzene-2-id-1-yl]oxy-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]isoquinoline;2-[9-[3-[3-(triazol-2-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]xanthen-9-yl]pyridine is sourced from PubChem (CID 160652993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).