9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)

C64H46N4Pt — CID 167399521

About 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)

9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167399521) has the molecular formula C64H46N4Pt and a molecular weight of 1066.18 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167399521
• Molecular Formula: C64H46N4Pt
• Molecular Weight: 1066.18 g/mol
• Exact Mass: 1065.34
• IUPAC Name: 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: CC(C)N1CN(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C64H46N4.Pt/c1-43(2)66-42-67(60-34-16-15-33-59(60)66)49-24-17-23-47(40-49)64(56-30-12-9-25-52(56)53-26-10-13-31-57(53)64)48-35-36-55-54-27-11-14-32-58(54)68(61(55)41-48)62-39-46(37-38-65-62)63-50(44-19-5-3-6-20-44)28-18-29-51(63)45-21-7-4-8-22-45;/h3-39,43H,42H2,1-2H3;/q-2;+2
• InChIKey: IEOLNVIRZPMDED-UHFFFAOYSA-N
• XLogP: 15.46
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.18
LogP ≤ 5	15.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) (CID 167399521) is 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) is CC(C)N1CN(c2[c-]c(C3(c4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5c(-c6ccccc6)cccc5-c5ccccc5)ccn4)c4ccccc4-c4ccccc43)ccc2)c2ccccc21.[Pt+2].

What is the InChIKey of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is IEOLNVIRZPMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H46N4.Pt/c1-43(2)66-42-67(60-34-16-15-33-59(60)66)49-24-17-23-47(40-49)64(56-30-12-9-25-52(56)53-26-10-13-31-57(53)64)48-35-36-55-54-27-11-14-32-58(54)68(61(55)41-48)62-39-46(37-38-65-62)63-50(44-19-5-3-6-20-44)28-18-29-51(63)45-21-7-4-8-22-45;/h3-39,43H,42H2,1-2H3;/q-2;+2.

What are the key properties of 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+)?

9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 1066.18 g/mol, XLogP of 15.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[9-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]fluoren-9-yl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167399521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).