2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
C49H32N5Pt-3 — CID 176871526
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
SMILES[Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccnc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C49H32N5.Pt/c1-4-16-35(17-5-1)48(36-18-6-2-7-19-36)49(37-27-28-41-40-22-10-11-23-42(40)54(45(41)32-37)46-26-14-15-30-50-46)38-29-31-51-47(33-38)53-34-52(39-20-8-3-9-21-39)43-24-12-13-25-44(43)53;/h1-31,34H;/q-3;
InChIKeyQLQBGKJLPHPNCW-UHFFFAOYSA-N
MW885.91 g/mol
LogP11.59
Rot. Bonds7
About 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 176871526) has the molecular formula C49H32N5Pt-3 and a molecular weight of 885.91 g/mol. Its IUPAC name is 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.
Molecular Properties
| Compound Name | 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum |
|---|---|
| PubChem CID | 176871526 |
| Molecular Formula | C49H32N5Pt-3 |
| Molecular Weight | 885.91 g/mol |
| Exact Mass | 885.23 |
| IUPAC Name | 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum |
| SMILES | [Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccnc1N1[CH-]N(c2ccccc2)c2ccccc21 |
| InChI | InChI=1S/C49H32N5.Pt/c1-4-16-35(17-5-1)48(36-18-6-2-7-19-36)49(37-27-28-41-40-22-10-11-23-42(40)54(45(41)32-37)46-26-14-15-30-50-46)38-29-31-51-47(33-38)53-34-52(39-20-8-3-9-21-39)43-24-12-13-25-44(43)53;/h1-31,34H;/q-3; |
| InChIKey | QLQBGKJLPHPNCW-UHFFFAOYSA-N |
| XLogP | 11.59 |
| TPSA | 37.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 55 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 885.91 |
| LogP ≤ 5 | 11.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 176871526) is 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(C(=C(c2ccccc2)c2ccccc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)ccnc1N1[CH-]N(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The InChIKey is QLQBGKJLPHPNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N5.Pt/c1-4-16-35(17-5-1)48(36-18-6-2-7-19-36)49(37-27-28-41-40-22-10-11-23-42(40)54(45(41)32-37)46-26-14-15-30-50-46)38-29-31-51-47(33-38)53-34-52(39-20-8-3-9-21-39)43-24-12-13-25-44(43)53;/h1-31,34H;/q-3;.
What are the key properties of 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 885.91 g/mol, XLogP of 11.59, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-diphenyl-1-[2-(3-phenyl-2H-benzimidazol-2-id-1-yl)-3H-pyridin-3-id-4-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176871526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 176871526 — identifiers, structure, computed properties (public domain)
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