7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum

C40H37N4OPt- — CID 171579755

About 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum

7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum (PubChem CID 171579755) has the molecular formula C40H37N4OPt- and a molecular weight of 784.84 g/mol. Its IUPAC name is 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum
• PubChem CID: 171579755
• Molecular Formula: C40H37N4OPt-
• Molecular Weight: 784.84 g/mol
• Exact Mass: 784.26
• IUPAC Name: 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum
• SMILES: Cc1cc(C)c(-c2ccnc(N3c4[c-]c(-c5ccc6ccc(N(C)C)c(O)c6n5)ccc4C(C)(C)c4ccccc43)c2)c(C)c1.[Pt]
• InChI: InChI=1S/C40H37N4O.Pt/c1-24-20-25(2)37(26(3)21-24)29-18-19-41-36(23-29)44-33-11-9-8-10-30(33)40(4,5)31-15-12-28(22-35(31)44)32-16-13-27-14-17-34(43(6)7)39(45)38(27)42-32;/h8-21,23,45H,1-7H3;/q-1
• InChIKey: PYLGPEYSKQLADI-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 52.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.84
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum?

The IUPAC name of 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum (CID 171579755) is 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum.

What is the SMILES notation for 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum?

The canonical SMILES for 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum is Cc1cc(C)c(-c2ccnc(N3c4[c-]c(-c5ccc6ccc(N(C)C)c(O)c6n5)ccc4C(C)(C)c4ccccc43)c2)c(C)c1.[Pt].

What is the InChIKey of 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum?

The InChIKey is PYLGPEYSKQLADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37N4O.Pt/c1-24-20-25(2)37(26(3)21-24)29-18-19-41-36(23-29)44-33-11-9-8-10-30(33)40(4,5)31-15-12-28(22-35(31)44)32-16-13-27-14-17-34(43(6)7)39(45)38(27)42-32;/h8-21,23,45H,1-7H3;/q-1;.

What are the key properties of 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum?

7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum has a molecular weight of 784.84 g/mol, XLogP of 9.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(dimethylamino)-2-[9,9-dimethyl-10-[4-(2,4,6-trimethylphenyl)-2-pyridinyl]-4H-acridin-4-id-3-yl]quinolin-8-ol;platinum is sourced from PubChem (CID 171579755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).