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

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 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).