2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))

C125H68F3N15O12Pd3Pt3 — CID 158904919

About 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))

2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)) (PubChem CID 158904919) has the molecular formula C125H68F3N15O12Pd3Pt3 and a molecular weight of 2933.50 g/mol. Its IUPAC name is 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)).

Molecular Properties

• Compound Name: 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))
• PubChem CID: 158904919
• Molecular Formula: C125H68F3N15O12Pd3Pt3
• Molecular Weight: 2933.50 g/mol
• Exact Mass: 2930.12
• IUPAC Name: 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))
• SMILES: FC(F)(F)c1cnc(-n2c3[c-]c(Oc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c32)nc1.[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3ccccc3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc3ccccc3n2)cccc1Oc1ccccn1
• InChI: InChI=1S/C44H25N5O4.C42H23N5O4.C39H20F3N5O4.3Pd.3Pt/c1-2-10-30(11-3-1)31-28-47-44(48-29-31)49-40-26-36(50-32-12-8-14-34(24-32)52-42-16-4-6-22-45-42)18-20-38(40)39-21-19-37(27-41(39)49)51-33-13-9-15-35(25-33)53-43-17-5-7-23-46-43;1-2-14-37-28(9-1)27-45-42(46-37)47-38-25-33(48-29-10-7-12-31(23-29)50-40-15-3-5-21-43-40)17-19-35(38)36-20-18-34(26-39(36)47)49-30-11-8-13-32(24-30)51-41-16-4-6-22-44-41;40-39(41,42)25-23-45-38(46-24-25)47-34-21-30(48-26-7-5-9-28(19-26)50-36-11-1-3-17-43-36)13-15-32(34)33-16-14-31(22-35(33)47)49-27-8-6-10-29(20-27)51-37-12-2-4-18-44-37;;;;;;/h1-23,28-29H;1-22,27H;1-18,23-24H;;;;;;/q3*-4;6*+2
• InChIKey: SIDJHTQQHAYPKJ-UHFFFAOYSA-N
• XLogP: 30.02
• TPSA: 280.23 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2933.50
LogP ≤ 5	30.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))?

The IUPAC name of 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)) (CID 158904919) is 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)).

What is the SMILES notation for 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))?

The canonical SMILES for 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)) is FC(F)(F)c1cnc(-n2c3[c-]c(Oc4[c-]c(Oc5ccccn5)ccc4)ccc3c3ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c32)nc1.[Pd+2].[Pd+2].[Pd+2].[Pt+2].[Pt+2].[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc(-c3ccccc3)cn2)cccc1Oc1ccccn1.[c-]1c(Oc2[c-]c3c(cc2)c2ccc(Oc4[c-]c(Oc5ccccn5)ccc4)[c-]c2n3-c2ncc3ccccc3n2)cccc1Oc1ccccn1.

What is the InChIKey of 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))?

The InChIKey is SIDJHTQQHAYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N5O4.C42H23N5O4.C39H20F3N5O4.3Pd.3Pt/c1-2-10-30(11-3-1)31-28-47-44(48-29-31)49-40-26-36(50-32-12-8-14-34(24-32)52-42-16-4-6-22-45-42)18-20-38(40)39-21-19-37(27-41(39)49)51-33-13-9-15-35(25-33)53-43-17-5-7-23-46-43;1-2-14-37-28(9-1)27-45-42(46-37)47-38-25-33(48-29-10-7-12-31(23-29)50-40-15-3-5-21-43-40)17-19-35(38)36-20-18-34(26-39(36)47)49-30-11-8-13-32(24-30)51-41-16-4-6-22-44-41;40-39(41,42)25-23-45-38(46-24-25)47-34-21-30(48-26-7-5-9-28(19-26)50-36-11-1-3-17-43-36)13-15-32(34)33-16-14-31(22-35(33)47)49-27-8-6-10-29(20-27)51-37-12-2-4-18-44-37;;;;;;/h1-23,28-29H;1-22,27H;1-18,23-24H;;;;;;/q3*-4;6*+2.

What are the key properties of 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+))?

2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)) has a molecular weight of 2933.50 g/mol, XLogP of 30.02, 28 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-quinazolin-2-yl-1,8-dihydrocarbazole-1,8-diide;2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-9-[5-(trifluoromethyl)pyrimidin-2-yl]-1,8-dihydrocarbazole-1,8-diide;tris(palladium(2+));9-(5-phenylpyrimidin-2-yl)-2,7-bis[(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy]-1,8-dihydrocarbazole-1,8-diide;tris(platinum(2+)) is sourced from PubChem (CID 158904919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).