4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))

C166H94N26O17Pd4Pt4S — CID 158813802

About 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))

4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)) (PubChem CID 158813802) has the molecular formula C166H94N26O17Pd4Pt4S and a molecular weight of 3962.80 g/mol. Its IUPAC name is 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)).

Molecular Properties

• Compound Name: 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))
• PubChem CID: 158813802
• Molecular Formula: C166H94N26O17Pd4Pt4S
• Molecular Weight: 3962.80 g/mol
• Exact Mass: 3958.17
• IUPAC Name: 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))
• SMILES: Cn1ccnc1-c1cnc(-n2c3[c-]c(Oc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c32)nc1.Cn1cnc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(Oc6ccccn6)ccc5)ccc4c4ccc(Oc5[c-]c(Oc6ccccn6)ccc5)[c-]c43)nc2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cocn3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cscn3)cn2)cccc1Oc1ccccn1
• InChI: InChI=1S/2C42H25N7O4.C41H22N6O5.C41H22N6O4S.4Pd.4Pt/c1-48-26-37(47-27-48)28-24-45-42(46-25-28)49-38-22-33(50-29-8-6-10-31(20-29)52-40-12-2-4-18-43-40)14-16-35(38)36-17-15-34(23-39(36)49)51-30-9-7-11-32(21-30)53-41-13-3-5-19-44-41;1-48-21-20-45-41(48)28-26-46-42(47-27-28)49-37-24-33(50-29-8-6-10-31(22-29)52-39-12-2-4-18-43-39)14-16-35(37)36-17-15-34(25-38(36)49)51-30-9-7-11-32(23-30)53-40-13-3-5-19-44-40;1-3-17-42-39(11-1)51-30-9-5-7-28(19-30)49-32-13-15-34-35-16-14-33(50-29-8-6-10-31(20-29)52-40-12-2-4-18-43-40)22-38(35)47(37(34)21-32)41-44-23-27(24-45-41)36-25-48-26-46-36;1-3-17-42-39(11-1)50-30-9-5-7-28(19-30)48-32-13-15-34-35-16-14-33(49-29-8-6-10-31(20-29)51-40-12-2-4-18-43-40)22-38(35)47(37(34)21-32)41-44-23-27(24-45-41)36-25-52-26-46-36;;;;;;;;/h2-19,24-27H,1H3;2-21,26-27H,1H3;2*1-18,23-26H;;;;;;;;/q4*-4;8*+2
• InChIKey: UJWCUKMMOSRFSC-UHFFFAOYSA-N
• XLogP: 37.49
• TPSA: 448.20 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 40
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3962.80
LogP ≤ 5	37.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))?

The IUPAC name of 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)) (CID 158813802) is 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)).

What is the SMILES notation for 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))?

The canonical SMILES for 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)) is Cn1ccnc1-c1cnc(-n2c3[c-]c(Oc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c32)nc1.Cn1cnc(-c2cnc(-n3c4[c-]c(Oc5[c-]c(Oc6ccccn6)ccc5)ccc4c4ccc(Oc5[c-]c(Oc6ccccn6)ccc5)[c-]c43)nc2)c1.[Pd+2].[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cocn3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3cscn3)cn2)cccc1Oc1ccccn1.

What is the InChIKey of 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))?

The InChIKey is UJWCUKMMOSRFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C42H25N7O4.C41H22N6O5.C41H22N6O4S.4Pd.4Pt/c1-48-26-37(47-27-48)28-24-45-42(46-25-28)49-38-22-33(50-29-8-6-10-31(20-29)52-40-12-2-4-18-43-40)14-16-35(38)36-17-15-34(23-39(36)49)51-30-9-7-11-32(21-30)53-41-13-3-5-19-44-41;1-48-21-20-45-41(48)28-26-46-42(47-27-28)49-37-24-33(50-29-8-6-10-31(22-29)52-39-12-2-4-18-43-39)14-16-35(37)36-17-15-34(25-38(36)49)51-30-9-7-11-32(23-30)53-40-13-3-5-19-44-40;1-3-17-42-39(11-1)51-30-9-5-7-28(19-30)49-32-13-15-34-35-16-14-33(50-29-8-6-10-31(20-29)52-40-12-2-4-18-43-40)22-38(35)47(37(34)21-32)41-44-23-27(24-45-41)36-25-48-26-46-36;1-3-17-42-39(11-1)50-30-9-5-7-28(19-30)48-32-13-15-34-35-16-14-33(49-29-8-6-10-31(20-29)51-40-12-2-4-18-43-40)22-38(35)47(37(34)21-32)41-44-23-27(24-45-41)36-25-52-26-46-36;;;;;;;;/h2-19,24-27H,1H3;2-21,26-27H,1H3;2*1-18,23-26H;;;;;;;;/q4*-4;8*+2.

What are the key properties of 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+))?

4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)) has a molecular weight of 3962.80 g/mol, XLogP of 37.49, 40 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-oxazole;4-[2-[2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diid-9-yl]pyrimidin-5-yl]-1,3-thiazole;9-[5-(1-methylimidazol-2-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;9-[5-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tetrakis(palladium(2+));tetrakis(platinum(2+)) is sourced from PubChem (CID 158813802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).