2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))

C197H108N26O10Pd5Pt5S — CID 158256655

About 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))

2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)) (PubChem CID 158256655) has the molecular formula C197H108N26O10Pd5Pt5S and a molecular weight of 4546.81 g/mol. Its IUPAC name is 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)).

Molecular Properties

• Compound Name: 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))
• PubChem CID: 158256655
• Molecular Formula: C197H108N26O10Pd5Pt5S
• Molecular Weight: 4546.81 g/mol
• Exact Mass: 4541.24
• IUPAC Name: 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))
• SMILES: [2H]c1ccc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6ccc([2H])cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)nc1.[2H]c1cccc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6cccc([2H])n6)ccc5)[c-]c3n4-c3ncccn3)ccc2)n1.[2H]c1cccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ncccc5[2H])ccc4)[c-]c2n3-c2ncccn2)ccc1.[2H]c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6cc([2H])ccn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3nc4ccccc4s3)cn2)cccc1-c1ccccn1
• InChI: InChI=1S/C45H24N6O2S.4C38H21N5O2.5Pd.5Pt/c1-2-16-43-40(15-1)50-44(54-43)31-27-48-45(49-28-31)51-41-25-34(52-32-11-7-9-29(23-32)38-13-3-5-21-46-38)17-19-36(41)37-20-18-35(26-42(37)51)53-33-12-8-10-30(24-33)39-14-4-6-22-47-39;4*1-3-18-39-34(12-1)26-8-5-10-28(22-26)44-30-14-16-32-33-17-15-31(25-37(33)43(36(32)24-30)38-41-20-7-21-42-38)45-29-11-6-9-27(23-29)35-13-2-4-19-40-35;;;;;;;;;;/h1-22,27-28H;4*1-21H;;;;;;;;;;/q5*-4;10*+2/i;18D,19D;12D,13D;3D,4D;1D,2D
• InChIKey: PBTFWBIFBZCKQW-KEHGXICLSA-N
• XLogP: 44.67
• TPSA: 387.64 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4546.81
LogP ≤ 5	44.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))?

The IUPAC name of 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)) (CID 158256655) is 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)).

What is the SMILES notation for 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))?

The canonical SMILES for 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)) is [2H]c1ccc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6ccc([2H])cn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)nc1.[2H]c1cccc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6cccc([2H])n6)ccc5)[c-]c3n4-c3ncccn3)ccc2)n1.[2H]c1cccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ncccc5[2H])ccc4)[c-]c2n3-c2ncccn2)ccc1.[2H]c1ccnc(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccc(Oc5[c-]c(-c6cc([2H])ccn6)ccc5)[c-]c3n4-c3ncccn3)ccc2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(-c5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3nc4ccccc4s3)cn2)cccc1-c1ccccn1.

What is the InChIKey of 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))?

The InChIKey is PBTFWBIFBZCKQW-KEHGXICLSA-N. The full InChI is InChI=1S/C45H24N6O2S.4C38H21N5O2.5Pd.5Pt/c1-2-16-43-40(15-1)50-44(54-43)31-27-48-45(49-28-31)51-41-25-34(52-32-11-7-9-29(23-32)38-13-3-5-21-46-38)17-19-36(41)37-20-18-35(26-42(37)51)53-33-12-8-10-30(24-33)39-14-4-6-22-47-39;4*1-3-18-39-34(12-1)26-8-5-10-28(22-26)44-30-14-16-32-33-17-15-31(25-37(33)43(36(32)24-30)38-41-20-7-21-42-38)45-29-11-6-9-27(23-29)35-13-2-4-19-40-35;;;;;;;;;;/h1-22,27-28H;4*1-21H;;;;;;;;;;/q5*-4;10*+2/i;18D,19D;12D,13D;3D,4D;1D,2D;;;;;;;;;;.

What are the key properties of 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+))?

2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)) has a molecular weight of 4546.81 g/mol, XLogP of 44.67, 36 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[[3-(3-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(4-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(5-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[[3-(6-deuterio-2-pyridinyl)benzene-2-id-1-yl]oxy]-9-pyrimidin-2-yl-1,8-dihydrocarbazole-1,8-diide;2-[2-[2,7-bis[(3-pyridin-2-ylbenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-benzothiazole;pentakis(palladium(2+));pentakis(platinum(2+)) is sourced from PubChem (CID 158256655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).