2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
C48H31N6Pt-3 — CID 176871557
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
SMILES[Pt].[c-]1c(C(=C(c2cccnc2)c2cccnc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21
InChIInChI=1S/C48H31N6.Pt/c1-2-16-38(17-3-1)52-33-53(44-22-7-6-21-43(44)52)39-18-10-13-34(29-39)47(48(36-14-11-26-49-31-36)37-15-12-27-50-32-37)35-24-25-41-40-19-4-5-20-42(40)54(45(41)30-35)46-23-8-9-28-51-46;/h1-28,31-33H;/q-3;
InChIKeyBERGPWLRVHDGSL-UHFFFAOYSA-N
MW886.90 g/mol
LogP10.98
Rot. Bonds7
About 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 176871557) has the molecular formula C48H31N6Pt-3 and a molecular weight of 886.90 g/mol. Its IUPAC name is 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.
Molecular Properties
| Compound Name | 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum |
|---|---|
| PubChem CID | 176871557 |
| Molecular Formula | C48H31N6Pt-3 |
| Molecular Weight | 886.90 g/mol |
| Exact Mass | 886.23 |
| IUPAC Name | 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum |
| SMILES | [Pt].[c-]1c(C(=C(c2cccnc2)c2cccnc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21 |
| InChI | InChI=1S/C48H31N6.Pt/c1-2-16-38(17-3-1)52-33-53(44-22-7-6-21-43(44)52)39-18-10-13-34(29-39)47(48(36-14-11-26-49-31-36)37-15-12-27-50-32-37)35-24-25-41-40-19-4-5-20-42(40)54(45(41)30-35)46-23-8-9-28-51-46;/h1-28,31-33H;/q-3; |
| InChIKey | BERGPWLRVHDGSL-UHFFFAOYSA-N |
| XLogP | 10.98 |
| TPSA | 50.08 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 55 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 886.90 |
| LogP ≤ 5 | 10.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The IUPAC name of 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 176871557) is 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.
What is the SMILES notation for 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The canonical SMILES for 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(C(=C(c2cccnc2)c2cccnc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
The InChIKey is BERGPWLRVHDGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N6.Pt/c1-2-16-38(17-3-1)52-33-53(44-22-7-6-21-43(44)52)39-18-10-13-34(29-39)47(48(36-14-11-26-49-31-36)37-15-12-27-50-32-37)35-24-25-41-40-19-4-5-20-42(40)54(45(41)30-35)46-23-8-9-28-51-46;/h1-28,31-33H;/q-3;.
What are the key properties of 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?
2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 886.90 g/mol, XLogP of 10.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]-2,2-dipyridin-3-ylethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176871557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 176871557 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.