3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))

C212H143F6N25O10Pd5Pt5 — CID 157411315

About 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))

3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)) (PubChem CID 157411315) has the molecular formula C212H143F6N25O10Pd5Pt5 and a molecular weight of 4822.12 g/mol. Its IUPAC name is 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))
• PubChem CID: 157411315
• Molecular Formula: C212H143F6N25O10Pd5Pt5
• Molecular Weight: 4822.12 g/mol
• Exact Mass: 4816.48
• IUPAC Name: 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))
• SMILES: CC(C)(C)c1cc2c3cc(C(C)(C)C)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.CC(C)c1cc2c3cc(C(C)C)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.CCc1cc2c3cc(CC)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2]
• InChI: InChI=1S/C46H37N5O2.C44H33N5O2.C42H29N5O2.2C40H22F3N5O2.5Pd.5Pt/c1-45(2,3)36-26-34-35-27-37(46(4,5)6)43(53-33-17-12-15-31(25-33)39-19-8-10-21-48-39)29-41(35)51(44-49-22-13-23-50-44)40(34)28-42(36)52-32-16-11-14-30(24-32)38-18-7-9-20-47-38;1-28(2)34-24-36-37-25-35(29(3)4)43(51-33-15-10-13-31(23-33)39-17-6-8-19-46-39)27-41(37)49(44-47-20-11-21-48-44)40(36)26-42(34)50-32-14-9-12-30(22-32)38-16-5-7-18-45-38;1-3-28-24-34-35-25-29(4-2)41(49-33-15-10-13-31(23-33)37-17-6-8-19-44-37)27-39(35)47(42-45-20-11-21-46-42)38(34)26-40(28)48-32-14-9-12-30(22-32)36-16-5-7-18-43-36;2*1-25-19-30-31-22-32(40(41,42)43)38(50-29-12-7-10-27(21-29)34-14-3-5-16-45-34)24-36(31)48(39-46-17-8-18-47-39)35(30)23-37(25)49-28-11-6-9-26(20-28)33-13-2-4-15-44-33;;;;;;;;;;/h7-23,26-27H,1-6H3;5-21,24-25,28-29H,1-4H3;5-21,24-25H,3-4H2,1-2H3;2*2-19,22H,1H3;;;;;;;;;;/q5*-4;10*+2
• InChIKey: MEZLPDPWKQJBNS-UHFFFAOYSA-N
• XLogP: 51.01
• TPSA: 374.75 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 39
• Heavy Atoms: 263
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4822.12
LogP ≤ 5	51.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))?

The IUPAC name of 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)) (CID 157411315) is 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)).

What is the SMILES notation for 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))?

The canonical SMILES for 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)) is CC(C)(C)c1cc2c3cc(C(C)(C)C)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.CC(C)c1cc2c3cc(C(C)C)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.CCc1cc2c3cc(CC)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.Cc1cc2c3cc(C(F)(F)F)c(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c3n(-c3ncccn3)c2[c-]c1Oc1[c-]c(-c2ccccn2)ccc1.[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 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))?

The InChIKey is MEZLPDPWKQJBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N5O2.C44H33N5O2.C42H29N5O2.2C40H22F3N5O2.5Pd.5Pt/c1-45(2,3)36-26-34-35-27-37(46(4,5)6)43(53-33-17-12-15-31(25-33)39-19-8-10-21-48-39)29-41(35)51(44-49-22-13-23-50-44)40(34)28-42(36)52-32-16-11-14-30(24-32)38-18-7-9-20-47-38;1-28(2)34-24-36-37-25-35(29(3)4)43(51-33-15-10-13-31(23-33)39-17-6-8-19-46-39)27-41(37)49(44-47-20-11-21-48-44)40(36)26-42(34)50-32-14-9-12-30(22-32)38-16-5-7-18-45-38;1-3-28-24-34-35-25-29(4-2)41(49-33-15-10-13-31(23-33)37-17-6-8-19-44-37)27-39(35)47(42-45-20-11-21-46-42)38(34)26-40(28)48-32-14-9-12-30(22-32)36-16-5-7-18-43-36;2*1-25-19-30-31-22-32(40(41,42)43)38(50-29-12-7-10-27(21-29)34-14-3-5-16-45-34)24-36(31)48(39-46-17-8-18-47-39)35(30)23-37(25)49-28-11-6-9-26(20-28)33-13-2-4-15-44-33;;;;;;;;;;/h7-23,26-27H,1-6H3;5-21,24-25,28-29H,1-4H3;5-21,24-25H,3-4H2,1-2H3;2*2-19,22H,1H3;;;;;;;;;;/q5*-4;10*+2.

What are the key properties of 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+))?

3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)) has a molecular weight of 4822.12 g/mol, XLogP of 51.01, 39 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-ditert-butyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-diethyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;3,6-di(propan-2-yl)-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;bis(3-methyl-2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-9-pyrimidin-2-yl-6-(trifluoromethyl)-1,8-dihydrocarbazole-1,8-diide);pentakis(palladium(2+));pentakis(platinum(2+)) is sourced from PubChem (CID 157411315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).