2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))

C207H137F7N30O20Pd5Pt5 — CID 158443361

IUPAC2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(C)(C)C)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.CC(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(C)C)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.CCc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(CC)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(F)(F)F)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.FC(F)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(F)F)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C45H36N6O4.C43H32N6O4.C41H28N6O4.C39H20F4N6O4.C39H21F3N6O4.5Pd.5Pt/c1-44(2,3)29-19-33(23-35(21-29)54-41-11-7-9-17-47-41)52-31-13-15-37-38-16-14-32(26-40(38)51(39(37)25-31)43-49-27-46-28-50-43)53-34-20-30(45(4,5)6)22-36(24-34)55-42-12-8-10-18-48-42;1-27(2)29-17-33(21-35(19-29)52-41-9-5-7-15-45-41)50-31-11-13-37-38-14-12-32(24-40(38)49(39(37)23-31)43-47-25-44-26-48-43)51-34-18-30(28(3)4)20-36(22-34)53-42-10-6-8-16-46-42;1-3-27-17-31(21-33(19-27)50-39-9-5-7-15-43-39)48-29-11-13-35-36-14-12-30(24-38(36)47(37(35)23-29)41-45-25-42-26-46-41)49-32-18-28(4-2)20-34(22-32)51-40-10-6-8-16-44-40;40-37(41)23-13-27(17-29(15-23)52-35-5-1-3-11-45-35)50-25-7-9-31-32-10-8-26(20-34(32)49(33(31)19-25)39-47-21-44-22-48-39)51-28-14-24(38(42)43)16-30(18-28)53-36-6-2-4-12-46-36;1-24-14-28(18-29(15-24)51-36-6-2-4-12-44-36)49-26-8-10-32-33-11-9-27(21-35(33)48(34(32)20-26)38-46-22-43-23-47-38)50-30-16-25(39(40,41)42)17-31(19-30)52-37-7-3-5-13-45-37;;;;;;;;;;/h7-22,27-28H,1-6H3;5-20,25-28H,1-4H3;5-20,25-26H,3-4H2,1-2H3;1-16,21-22,37-38H;2-17,22-23H,1H3;;;;;;;;;;/q5*-4;10*+2
InChIKeyRUBOTBYVYRDYPK-UHFFFAOYSA-N
MW5005.04 g/mol
LogP49.79
Rot. Bonds51

About 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))

2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)) (PubChem CID 158443361) has the molecular formula C207H137F7N30O20Pd5Pt5 and a molecular weight of 5005.04 g/mol. Its IUPAC name is 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)).

Molecular Properties

Compound Name2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))
PubChem CID158443361
Molecular FormulaC207H137F7N30O20Pd5Pt5
Molecular Weight5005.04 g/mol
Exact Mass4999.39
IUPAC Name2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))
SMILESCC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(C)(C)C)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.CC(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(C)C)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.CCc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(CC)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(F)(F)F)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.FC(F)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(F)F)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C45H36N6O4.C43H32N6O4.C41H28N6O4.C39H20F4N6O4.C39H21F3N6O4.5Pd.5Pt/c1-44(2,3)29-19-33(23-35(21-29)54-41-11-7-9-17-47-41)52-31-13-15-37-38-16-14-32(26-40(38)51(39(37)25-31)43-49-27-46-28-50-43)53-34-20-30(45(4,5)6)22-36(24-34)55-42-12-8-10-18-48-42;1-27(2)29-17-33(21-35(19-29)52-41-9-5-7-15-45-41)50-31-11-13-37-38-14-12-32(24-40(38)49(39(37)23-31)43-47-25-44-26-48-43)51-34-18-30(28(3)4)20-36(22-34)53-42-10-6-8-16-46-42;1-3-27-17-31(21-33(19-27)50-39-9-5-7-15-43-39)48-29-11-13-35-36-14-12-30(24-38(36)47(37(35)23-29)41-45-25-42-26-46-41)49-32-18-28(4-2)20-34(22-32)51-40-10-6-8-16-44-40;40-37(41)23-13-27(17-29(15-23)52-35-5-1-3-11-45-35)50-25-7-9-31-32-10-8-26(20-34(32)49(33(31)19-25)39-47-21-44-22-48-39)51-28-14-24(38(42)43)16-30(18-28)53-36-6-2-4-12-46-36;1-24-14-28(18-29(15-24)51-36-6-2-4-12-44-36)49-26-8-10-32-33-11-9-27(21-35(33)48(34(32)20-26)38-46-22-43-23-47-38)50-30-16-25(39(40,41)42)17-31(19-30)52-37-7-3-5-13-45-37;;;;;;;;;;/h7-22,27-28H,1-6H3;5-20,25-28H,1-4H3;5-20,25-26H,3-4H2,1-2H3;1-16,21-22,37-38H;2-17,22-23H,1H3;;;;;;;;;;/q5*-4;10*+2
InChIKeyRUBOTBYVYRDYPK-UHFFFAOYSA-N
XLogP49.79
TPSA531.50 Ų
H-Bond Donors
H-Bond Acceptors50
Rotatable Bonds51
Heavy Atoms274
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005005.04
LogP ≤ 549.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1050

Analyze 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))?
The IUPAC name of 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)) (CID 158443361) is 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)).
What is the SMILES notation for 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))?
The canonical SMILES for 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)) is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(C)(C)C)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.CC(C)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(C)C)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.CCc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(CC)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.Cc1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(F)(F)F)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.FC(F)c1cc(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)cc(C(F)F)c4)[c-]c2n3-c2ncncn2)[c-]c(Oc2ccccn2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))?
The InChIKey is RUBOTBYVYRDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H36N6O4.C43H32N6O4.C41H28N6O4.C39H20F4N6O4.C39H21F3N6O4.5Pd.5Pt/c1-44(2,3)29-19-33(23-35(21-29)54-41-11-7-9-17-47-41)52-31-13-15-37-38-16-14-32(26-40(38)51(39(37)25-31)43-49-27-46-28-50-43)53-34-20-30(45(4,5)6)22-36(24-34)55-42-12-8-10-18-48-42;1-27(2)29-17-33(21-35(19-29)52-41-9-5-7-15-45-41)50-31-11-13-37-38-14-12-32(24-40(38)49(39(37)23-31)43-47-25-44-26-48-43)51-34-18-30(28(3)4)20-36(22-34)53-42-10-6-8-16-46-42;1-3-27-17-31(21-33(19-27)50-39-9-5-7-15-43-39)48-29-11-13-35-36-14-12-30(24-38(36)47(37(35)23-29)41-45-25-42-26-46-41)49-32-18-28(4-2)20-34(22-32)51-40-10-6-8-16-44-40;40-37(41)23-13-27(17-29(15-23)52-35-5-1-3-11-45-35)50-25-7-9-31-32-10-8-26(20-34(32)49(33(31)19-25)39-47-21-44-22-48-39)51-28-14-24(38(42)43)16-30(18-28)53-36-6-2-4-12-46-36;1-24-14-28(18-29(15-24)51-36-6-2-4-12-44-36)49-26-8-10-32-33-11-9-27(21-35(33)48(34(32)20-26)38-46-22-43-23-47-38)50-30-16-25(39(40,41)42)17-31(19-30)52-37-7-3-5-13-45-37;;;;;;;;;;/h7-22,27-28H,1-6H3;5-20,25-28H,1-4H3;5-20,25-26H,3-4H2,1-2H3;1-16,21-22,37-38H;2-17,22-23H,1H3;;;;;;;;;;/q5*-4;10*+2.
What are the key properties of 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+))?
2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)) has a molecular weight of 5005.04 g/mol, XLogP of 49.79, 51 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[(3-tert-butyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(difluoromethyl)-5-pyridin-2-yloxybenzene-6-id-1-yl]oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-ethyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-propan-2-yl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy]-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;2-(3-methyl-5-pyridin-2-yloxybenzene-6-id-1-yl)oxy-7-[3-pyridin-2-yloxy-5-(trifluoromethyl)benzene-2-id-1-yl]oxy-9-(1,3,5-triazin-2-yl)-1,8-dihydrocarbazole-1,8-diide;pentakis(palladium(2+));pentakis(platinum(2+)) is sourced from PubChem (CID 158443361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).