4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))

C163H122F6N10O5Pt5Si — CID 159063604

IUPAC4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))
SMILESCc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2C3(C)c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2C3(C)c2cc(C)ccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1C2(C)c1cc(C(C)(C)C)ccn1.[2H]c1cc(Oc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2[Si]3(C)c2ccccn2)c1.[2H]c1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2C3(C)c2cc(C)ccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H29F3N2O.2C33H26N2O.C31H22N2O.C30H19F3N2OSi.5Pt/c1-22-9-12-30-29(16-22)28-11-10-23(19-31(28)35(30,5)32-21-25(13-15-40-32)34(2,3)4)24-17-26(36(37,38)39)20-27(18-24)42-33-8-6-7-14-41-33;2*1-21-8-11-29-28(17-21)27-10-9-24(20-30(27)33(29,4)31-18-22(2)12-14-34-31)25-15-23(3)16-26(19-25)36-32-7-5-6-13-35-32;1-21-15-17-32-29(18-21)31(2)27-11-4-3-10-25(27)26-14-13-23(20-28(26)31)22-8-7-9-24(19-22)34-30-12-5-6-16-33-30;1-37(29-11-4-5-15-35-29)26-10-3-2-9-24(26)25-13-12-21(18-27(25)37)20-7-6-8-23(17-20)36-28-19-22(14-16-34-28)30(31,32)33;;;;;/h6-17,20-21H,1-5H3;2*5-18H,1-4H3;3-18H,1-2H3;2-16,19H,1H3;;;;;/q5*-2;5*+2/i;;;3D,7D;2D,6D;;;;;
InChIKeyNYRYGHBDFWUCFO-HPRBHDHOSA-N
MW3422.32 g/mol
LogP37.89
Rot. Bonds20

About 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))

4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)) (PubChem CID 159063604) has the molecular formula C163H122F6N10O5Pt5Si and a molecular weight of 3422.32 g/mol. Its IUPAC name is 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)).

Molecular Properties

Compound Name4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))
PubChem CID159063604
Molecular FormulaC163H122F6N10O5Pt5Si
Molecular Weight3422.32 g/mol
Exact Mass3419.78
IUPAC Name4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))
SMILESCc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2C3(C)c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2C3(C)c2cc(C)ccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1C2(C)c1cc(C(C)(C)C)ccn1.[2H]c1cc(Oc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2[Si]3(C)c2ccccn2)c1.[2H]c1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2C3(C)c2cc(C)ccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C36H29F3N2O.2C33H26N2O.C31H22N2O.C30H19F3N2OSi.5Pt/c1-22-9-12-30-29(16-22)28-11-10-23(19-31(28)35(30,5)32-21-25(13-15-40-32)34(2,3)4)24-17-26(36(37,38)39)20-27(18-24)42-33-8-6-7-14-41-33;2*1-21-8-11-29-28(17-21)27-10-9-24(20-30(27)33(29,4)31-18-22(2)12-14-34-31)25-15-23(3)16-26(19-25)36-32-7-5-6-13-35-32;1-21-15-17-32-29(18-21)31(2)27-11-4-3-10-25(27)26-14-13-23(20-28(26)31)22-8-7-9-24(19-22)34-30-12-5-6-16-33-30;1-37(29-11-4-5-15-35-29)26-10-3-2-9-24(26)25-13-12-21(18-27(25)37)20-7-6-8-23(17-20)36-28-19-22(14-16-34-28)30(31,32)33;;;;;/h6-17,20-21H,1-5H3;2*5-18H,1-4H3;3-18H,1-2H3;2-16,19H,1H3;;;;;/q5*-2;5*+2/i;;;3D,7D;2D,6D;;;;;
InChIKeyNYRYGHBDFWUCFO-HPRBHDHOSA-N
XLogP37.89
TPSA175.05 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms190
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003422.32
LogP ≤ 537.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))?
The IUPAC name of 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)) (CID 159063604) is 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)).
What is the SMILES notation for 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))?
The canonical SMILES for 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)) is Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2C3(C)c2cc(C)ccn2)c1.Cc1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc(C)ccc2C3(C)c2cc(C)ccn2)c1.Cc1ccc2c(c1)-c1ccc(-c3[c-]c(Oc4ccccn4)cc(C(F)(F)F)c3)[c-]c1C2(C)c1cc(C(C)(C)C)ccn1.[2H]c1cc(Oc2cc(C(F)(F)F)ccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2[Si]3(C)c2ccccn2)c1.[2H]c1cc(Oc2ccccn2)[c-]c(-c2[c-]c3c(cc2)-c2cc([2H])ccc2C3(C)c2cc(C)ccn2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))?
The InChIKey is NYRYGHBDFWUCFO-HPRBHDHOSA-N. The full InChI is InChI=1S/C36H29F3N2O.2C33H26N2O.C31H22N2O.C30H19F3N2OSi.5Pt/c1-22-9-12-30-29(16-22)28-11-10-23(19-31(28)35(30,5)32-21-25(13-15-40-32)34(2,3)4)24-17-26(36(37,38)39)20-27(18-24)42-33-8-6-7-14-41-33;2*1-21-8-11-29-28(17-21)27-10-9-24(20-30(27)33(29,4)31-18-22(2)12-14-34-31)25-15-23(3)16-26(19-25)36-32-7-5-6-13-35-32;1-21-15-17-32-29(18-21)31(2)27-11-4-3-10-25(27)26-14-13-23(20-28(26)31)22-8-7-9-24(19-22)34-30-12-5-6-16-33-30;1-37(29-11-4-5-15-35-29)26-10-3-2-9-24(26)25-13-12-21(18-27(25)37)20-7-6-8-23(17-20)36-28-19-22(14-16-34-28)30(31,32)33;;;;;/h6-17,20-21H,1-5H3;2*5-18H,1-4H3;3-18H,1-2H3;2-16,19H,1H3;;;;;/q5*-2;5*+2/i;;;3D,7D;2D,6D;;;;;.
What are the key properties of 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+))?
4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)) has a molecular weight of 3422.32 g/mol, XLogP of 37.89, 20 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[6,9-dimethyl-2-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine;2-[3-deuterio-5-(8-deuterio-5-methyl-5-pyridin-2-yl-4H-benzo[b][1]benzosilol-4-id-3-yl)benzene-6-id-1-yl]oxy-4-(trifluoromethyl)pyridine;2-[6-deuterio-2-(3-deuterio-5-pyridin-2-yloxybenzene-6-id-1-yl)-9-methyl-1H-fluoren-1-id-9-yl]-4-methylpyridine;bis(2-[6,9-dimethyl-2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)-1H-fluoren-1-id-9-yl]-4-methylpyridine);pentakis(platinum(2+)) is sourced from PubChem (CID 159063604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).