benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole

C103H81N9O4Pd3S2 — CID 157178612

IUPACbenzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
SMILESCC(C)[N-]C(C)C.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[S-]c1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)s1.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C27H20N3O.C26H17N2O2.C26H17N2OS.C12H8N.C6H14N.C6H6S.3Pd/c1-30-25(22-15-13-21(14-16-22)20-8-3-2-4-9-20)19-29-27(30)23-10-7-11-24(18-23)31-26-12-5-6-17-28-26;2*1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-5(2)7-6(3)4;7-6-4-2-1-3-5-6;;;/h2-17,19H,1H3;2*1-16,18H;1-8H;5-6H,1-4H3;1-5,7H;;;/q5*-1;;3*+2/p-1
InChIKeyRHQIKRCVIRBNRO-UHFFFAOYSA-M
MW1892.23 g/mol
LogP26.92
Rot. Bonds17

About benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole

benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole (PubChem CID 157178612) has the molecular formula C103H81N9O4Pd3S2 and a molecular weight of 1892.23 g/mol. Its IUPAC name is benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole.

Molecular Properties

Compound Namebenzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
PubChem CID157178612
Molecular FormulaC103H81N9O4Pd3S2
Molecular Weight1892.23 g/mol
Exact Mass1889.30
IUPAC Namebenzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole
SMILESCC(C)[N-]C(C)C.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[S-]c1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)s1.c1ccc2c(c1)[n-]c1ccccc12
InChIInChI=1S/C27H20N3O.C26H17N2O2.C26H17N2OS.C12H8N.C6H14N.C6H6S.3Pd/c1-30-25(22-15-13-21(14-16-22)20-8-3-2-4-9-20)19-29-27(30)23-10-7-11-24(18-23)31-26-12-5-6-17-28-26;2*1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-5(2)7-6(3)4;7-6-4-2-1-3-5-6;;;/h2-17,19H,1H3;2*1-16,18H;1-8H;5-6H,1-4H3;1-5,7H;;;/q5*-1;;3*+2/p-1
InChIKeyRHQIKRCVIRBNRO-UHFFFAOYSA-M
XLogP26.92
TPSA151.30 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001892.23
LogP ≤ 526.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole 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

1-cyclohexyl-3-propan-2-ylbenzene;1-cyclopentyl-3-propan-2-ylbenzene;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-5-propan-2-ylpyridine;4-methyl-2-propan-2-ylpyridine;2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;1-(2-propan-2-ylphenyl)pyrrolidine;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 157464689
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;2-[3-(10b,10c-dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole-6-carbonitrile;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 157769145
CID 158466648
CID 158466648
CID 158633368
CID 158633368
2-propan-2-yl-1H-benzimidazole;2-propan-2-yl-1-benzofuran;2-propan-2-yl-1-benzothiophene;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;2-propan-2-ylnaphthalene;2-propan-2-ylquinazoline;3-propan-2-ylquinoline;4-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine;3-propan-2-yl-5-(trifluoromethyl)pyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159430087
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160025166
2-(3H-dibenzofuran-3-id-2-yl)-1-[2,6-di(propan-2-yl)phenyl]imidazole;3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;tris(4-hydroxypent-3-en-2-one);pentakis(iridium);2-(2H-naphthalen-2-id-1-yl)-1,3-benzothiazole;2-phenyl-1,3-benzoxazole;2-phenylpyridine;platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 160153675
6-[4-(1,1-difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;methyl (E)-3-[6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridin-1-yl]prop-2-enoate;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160204499
2-[3-(10b,10c-Dihydropyren-4-yl)-5-pyridin-3-ylphenyl]-1,3-benzothiazole;5-[6-(1-phenylbenzimidazol-2-yl)-2-pyridin-3-ylpyrimidin-4-yl]-1,10-phenanthroline;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-1,3-benzoxazole;2-(4-pyridin-3-yl-6-pyrimidin-2-yl-1,3,5-triazin-2-yl)-6-(trifluoromethyl)-1,3-benzoxazole
CID 160449291
6-[4-(1,1-Difluoroethyl)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine;6-(3-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(5-methoxy-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;6-(6-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]oxazolo[4,5-b]pyridine
CID 160452713
2-(1-Benzothiophen-2-yl)pyridine;2-(9,9-diethylfluoren-2-yl)-1-phenylbenzimidazole;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-quinolin-2-ylquinoline;2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160455830
6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384

Frequently Asked Questions

What is the IUPAC name of benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole?
The IUPAC name of benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole (CID 157178612) is benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole.
What is the SMILES notation for benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole?
The canonical SMILES for benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole is CC(C)[N-]C(C)C.Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1-c1[c-]c(Oc2ccccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[S-]c1ccccc1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)o1.[c-]1c(Oc2ccccn2)cccc1-c1ncc(-c2ccc(-c3ccccc3)cc2)s1.c1ccc2c(c1)[n-]c1ccccc12.
What is the InChIKey of benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole?
The InChIKey is RHQIKRCVIRBNRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H20N3O.C26H17N2O2.C26H17N2OS.C12H8N.C6H14N.C6H6S.3Pd/c1-30-25(22-15-13-21(14-16-22)20-8-3-2-4-9-20)19-29-27(30)23-10-7-11-24(18-23)31-26-12-5-6-17-28-26;2*1-2-7-19(8-3-1)20-12-14-21(15-13-20)24-18-28-26(30-24)22-9-6-10-23(17-22)29-25-11-4-5-16-27-25;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-5(2)7-6(3)4;7-6-4-2-1-3-5-6;;;/h2-17,19H,1H3;2*1-16,18H;1-8H;5-6H,1-4H3;1-5,7H;;;/q5*-1;;3*+2/p-1.
What are the key properties of benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole?
benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole has a molecular weight of 1892.23 g/mol, XLogP of 26.92, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzenethiolate;carbazol-9-ide;di(propan-2-yl)azanide;2-[3-[1-methyl-5-(4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]oxypyridine;tris(palladium(2+));5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-oxazole;5-(4-phenylphenyl)-2-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1,3-thiazole is sourced from PubChem (CID 157178612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).