2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C60H49N4Pt-3 — CID 176871655

About 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 176871655) has the molecular formula C60H49N4Pt-3 and a molecular weight of 1021.16 g/mol. Its IUPAC name is 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 176871655
• Molecular Formula: C60H49N4Pt-3
• Molecular Weight: 1021.16 g/mol
• Exact Mass: 1020.36
• IUPAC Name: 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [Pt].[c-]1c(C(=C(c2ccc(C3CCCC3)cc2)c2ccc(C3CCCC3)cc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21
• InChI: InChI=1S/C60H49N4.Pt/c1-2-20-50(21-3-1)62-41-63(56-26-11-10-25-55(56)62)51-22-14-19-48(39-51)60(49-36-37-53-52-23-8-9-24-54(52)64(57(53)40-49)58-27-12-13-38-61-58)59(46-32-28-44(29-33-46)42-15-4-5-16-42)47-34-30-45(31-35-47)43-17-6-7-18-43;/h1-3,8-14,19-38,41-43H,4-7,15-18H2;/q-3
• InChIKey: HUMLRNWPOABYHE-UHFFFAOYSA-N
• XLogP: 15.51
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1021.16
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 176871655) is 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [Pt].[c-]1c(C(=C(c2ccc(C3CCCC3)cc2)c2ccc(C3CCCC3)cc2)c2[c-]c3c(cc2)c2ccccc2n3-c2ccccn2)cccc1N1[CH-]N(c2ccccc2)c2ccccc21.

What is the InChIKey of 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is HUMLRNWPOABYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N4.Pt/c1-2-20-50(21-3-1)62-41-63(56-26-11-10-25-55(56)62)51-22-14-19-48(39-51)60(49-36-37-53-52-23-8-9-24-54(52)64(57(53)40-49)58-27-12-13-38-61-58)59(46-32-28-44(29-33-46)42-15-4-5-16-42)47-34-30-45(31-35-47)43-17-6-7-18-43;/h1-3,8-14,19-38,41-43H,4-7,15-18H2;/q-3;.

What are the key properties of 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1021.16 g/mol, XLogP of 15.51, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,2-bis(4-cyclopentylphenyl)-1-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]ethenyl]-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176871655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).