[1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C84H61N5OPt-2 — CID 168796748

About [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796748) has the molecular formula C84H61N5OPt-2 and a molecular weight of 1351.52 g/mol. Its IUPAC name is [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796748
• Molecular Formula: C84H61N5OPt-2
• Molecular Weight: 1351.52 g/mol
• Exact Mass: 1350.45
• IUPAC Name: [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3(c4cc(C(C)(C)C)ccc42)c2ccccc2N(c2ccccc2)c2ccccc23)ncc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C84H61N5O.Pt/c1-57-51-81(85-55-70(57)62-45-43-59(44-46-62)58-25-9-5-10-26-58)89-77-50-47-63(83(2,3)4)52-74(77)84(71-37-17-19-39-75(71)88(64-31-15-8-16-32-64)76-40-20-18-38-72(76)84)73-49-48-67(54-80(73)89)90-66-34-23-33-65(53-66)86-56-87(79-42-22-21-41-78(79)86)82-68(60-27-11-6-12-28-60)35-24-36-69(82)61-29-13-7-14-30-61;/h5-52,55H,1-4H3;/q-2
• InChIKey: LYZFKNFFMVQVEZ-UHFFFAOYSA-N
• XLogP: 21.51
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.52
LogP ≤ 5	21.51
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 [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796748) is [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is Cc1cc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3(c4cc(C(C)(C)C)ccc42)c2ccccc2N(c2ccccc2)c2ccccc23)ncc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is LYZFKNFFMVQVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H61N5O.Pt/c1-57-51-81(85-55-70(57)62-45-43-59(44-46-62)58-25-9-5-10-26-58)89-77-50-47-63(83(2,3)4)52-74(77)84(71-37-17-19-39-75(71)88(64-31-15-8-16-32-64)76-40-20-18-38-72(76)84)73-49-48-67(54-80(73)89)90-66-34-23-33-65(53-66)86-56-87(79-42-22-21-41-78(79)86)82-68(60-27-11-6-12-28-60)35-24-36-69(82)61-29-13-7-14-30-61;/h5-52,55H,1-4H3;/q-2;.

What are the key properties of [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1351.52 g/mol, XLogP of 21.51, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[7-tert-butyl-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).