2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum

C41H38N3OPt- — CID 171579724

About 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum

2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum (PubChem CID 171579724) has the molecular formula C41H38N3OPt- and a molecular weight of 783.85 g/mol. Its IUPAC name is 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum
• PubChem CID: 171579724
• Molecular Formula: C41H38N3OPt-
• Molecular Weight: 783.85 g/mol
• Exact Mass: 783.27
• IUPAC Name: 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum
• SMILES: Cc1cc(C)c(-c2ccnc(N3c4[c-]c(-c5ccc6c(C(C)C)ccc(O)c6n5)ccc4C(C)(C)c4ccccc43)c2)c(C)c1.[Pt]
• InChI: InChI=1S/C41H38N3O.Pt/c1-24(2)30-14-17-37(45)40-31(30)13-16-34(43-40)28-12-15-33-36(22-28)44(35-11-9-8-10-32(35)41(33,6)7)38-23-29(18-19-42-38)39-26(4)20-25(3)21-27(39)5;/h8-21,23-24,45H,1-7H3;/q-1
• InChIKey: CXTHUEFFWSYHJD-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 49.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.85
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	1
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 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum?

The IUPAC name of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum (CID 171579724) is 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum.

What is the SMILES notation for 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum?

The canonical SMILES for 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum is Cc1cc(C)c(-c2ccnc(N3c4[c-]c(-c5ccc6c(C(C)C)ccc(O)c6n5)ccc4C(C)(C)c4ccccc43)c2)c(C)c1.[Pt].

What is the InChIKey of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum?

The InChIKey is CXTHUEFFWSYHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H38N3O.Pt/c1-24(2)30-14-17-37(45)40-31(30)13-16-34(43-40)28-12-15-33-36(22-28)44(35-11-9-8-10-32(35)41(33,6)7)38-23-29(18-19-42-38)39-26(4)20-25(3)21-27(39)5;/h8-21,23-24,45H,1-7H3;/q-1;.

What are the key properties of 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum?

2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum has a molecular weight of 783.85 g/mol, XLogP of 10.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]-5-propan-2-ylquinolin-8-ol;platinum is sourced from PubChem (CID 171579724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).