1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))
C188H132N16O3Pt4 — CID 160891688
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc5ccccc45)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c(c4)oc4ccccc45)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5oc6ccccc6c5c4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6c5oc5ccccc56)ccc4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/C50H36N4.3C46H32N4O.4Pt/c1-50(2,3)36-30-42-39-21-12-13-23-44(39)52-47(42)43(31-36)49-53-48-40(22-14-24-46(48)54(49)37-18-8-5-9-19-37)41-28-35(27-34-17-10-11-20-38(34)41)45-29-33(25-26-51-45)32-15-6-4-7-16-32;1-46(2,3)30-26-36-33-17-7-9-20-38(33)48-42(36)37(27-30)45-49-43-32(19-12-21-39(43)50(45)31-15-5-4-6-16-31)28-13-11-14-29(25-28)41-44-35(23-24-47-41)34-18-8-10-22-40(34)51-44;1-46(2,3)29-26-34-32-16-7-9-20-38(32)48-43(34)36(27-29)45-49-44-31(18-13-21-39(44)50(45)30-14-5-4-6-15-30)28-24-35(37-19-11-12-23-47-37)42-33-17-8-10-22-40(33)51-41(42)25-28;1-46(2,3)29-26-34-32-16-7-9-20-39(32)48-42(34)37(27-29)45-49-43-31(18-13-21-40(43)50(45)30-14-5-4-6-15-30)28-24-35-33-17-8-10-22-41(33)51-44(35)36(25-28)38-19-11-12-23-47-38;;;;/h4-27,29-31H,1-3H3;4-24,26-27H,1-3H3;4-23,25-27H,1-3H3;4-24,26-27H,1-3H3;;;;/q4*-2;4*+2
InChIKeyVCRGBUOTWPZIPR-UHFFFAOYSA-N
MW3443.54 g/mol
LogP47.64
Rot. Bonds17
About 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))
1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) (PubChem CID 160891688) has the molecular formula C188H132N16O3Pt4 and a molecular weight of 3443.54 g/mol. Its IUPAC name is 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)).
Molecular Properties
| Compound Name | 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) |
|---|---|
| PubChem CID | 160891688 |
| Molecular Formula | C188H132N16O3Pt4 |
| Molecular Weight | 3443.54 g/mol |
| Exact Mass | 3440.93 |
| IUPAC Name | 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc5ccccc45)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c(c4)oc4ccccc45)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5oc6ccccc6c5c4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6c5oc5ccccc56)ccc4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C50H36N4.3C46H32N4O.4Pt/c1-50(2,3)36-30-42-39-21-12-13-23-44(39)52-47(42)43(31-36)49-53-48-40(22-14-24-46(48)54(49)37-18-8-5-9-19-37)41-28-35(27-34-17-10-11-20-38(34)41)45-29-33(25-26-51-45)32-15-6-4-7-16-32;1-46(2,3)30-26-36-33-17-7-9-20-38(33)48-42(36)37(27-30)45-49-43-32(19-12-21-39(43)50(45)31-15-5-4-6-16-31)28-13-11-14-29(25-28)41-44-35(23-24-47-41)34-18-8-10-22-40(34)51-44;1-46(2,3)29-26-34-32-16-7-9-20-38(32)48-43(34)36(27-29)45-49-44-31(18-13-21-39(44)50(45)30-14-5-4-6-15-30)28-24-35(37-19-11-12-23-47-37)42-33-17-8-10-22-40(33)51-41(42)25-28;1-46(2,3)29-26-34-32-16-7-9-20-39(32)48-42(34)37(27-29)45-49-43-31(18-13-21-40(43)50(45)30-14-5-4-6-15-30)28-24-35-33-17-8-10-22-41(33)51-44(35)36(25-28)38-19-11-12-23-47-38;;;;/h4-27,29-31H,1-3H3;4-24,26-27H,1-3H3;4-23,25-27H,1-3H3;4-24,26-27H,1-3H3;;;;/q4*-2;4*+2 |
| InChIKey | VCRGBUOTWPZIPR-UHFFFAOYSA-N |
| XLogP | 47.64 |
| TPSA | 218.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 211 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3443.54 |
| LogP ≤ 5 | 47.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))?
The IUPAC name of 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) (CID 160891688) is 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)).
What is the SMILES notation for 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))?
The canonical SMILES for 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)ccn5)cc5ccccc45)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5c(c4)oc4ccccc45)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)c5oc6ccccc6c5c4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6c5oc5ccccc56)ccc4)cccc3n2-c2ccccc2)c2[n-]c3ccccc3c2c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))?
The InChIKey is VCRGBUOTWPZIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N4.3C46H32N4O.4Pt/c1-50(2,3)36-30-42-39-21-12-13-23-44(39)52-47(42)43(31-36)49-53-48-40(22-14-24-46(48)54(49)37-18-8-5-9-19-37)41-28-35(27-34-17-10-11-20-38(34)41)45-29-33(25-26-51-45)32-15-6-4-7-16-32;1-46(2,3)30-26-36-33-17-7-9-20-38(33)48-42(36)37(27-30)45-49-43-32(19-12-21-39(43)50(45)31-15-5-4-6-16-31)28-13-11-14-29(25-28)41-44-35(23-24-47-41)34-18-8-10-22-40(34)51-44;1-46(2,3)29-26-34-32-16-7-9-20-38(32)48-43(34)36(27-29)45-49-44-31(18-13-21-39(44)50(45)30-14-5-4-6-15-30)28-24-35(37-19-11-12-23-47-37)42-33-17-8-10-22-40(33)51-41(42)25-28;1-46(2,3)29-26-34-32-16-7-9-20-39(32)48-42(34)37(27-29)45-49-43-31(18-13-21-40(43)50(45)30-14-5-4-6-15-30)28-24-35-33-17-8-10-22-41(33)51-44(35)36(25-28)38-19-11-12-23-47-38;;;;/h4-27,29-31H,1-3H3;4-24,26-27H,1-3H3;4-23,25-27H,1-3H3;4-24,26-27H,1-3H3;;;;/q4*-2;4*+2.
What are the key properties of 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+))?
1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) has a molecular weight of 3443.54 g/mol, XLogP of 47.64, 17 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-tert-butylcarbazol-9-id-1-yl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-[1]benzofuro[2,3-c]pyridine;3-tert-butyl-1-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(1-pyridin-2-yl-2H-dibenzofuran-2-id-3-yl)benzimidazol-2-yl]carbazol-9-ide;3-tert-butyl-1-[1-phenyl-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]carbazol-9-ide;tetrakis(platinum(2+)) is sourced from PubChem (CID 160891688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160891688 — identifiers, structure, computed properties (public domain)
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