(2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)

C51H49N3O2Pt — CID 170934809

About (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)

(2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+) (PubChem CID 170934809) has the molecular formula C51H49N3O2Pt and a molecular weight of 931.05 g/mol. Its IUPAC name is (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+).

Molecular Properties

• Compound Name: (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)
• PubChem CID: 170934809
• Molecular Formula: C51H49N3O2Pt
• Molecular Weight: 931.05 g/mol
• Exact Mass: 930.35
• IUPAC Name: (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)
• SMILES: CC(C)c1cc(Oc2[c-]c3c(cc2)C(C)(C)c2ccccc2N3c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@]3(C)Cc4ccccc4-c4ccccc4[C@]3(C)O2)c1.[Pt+2]
• InChI: InChI=1S/C51H49N3O2.Pt/c1-32(2)34-26-35(47-53-50(8)31-33-16-10-11-17-39(33)40-18-12-13-19-41(40)51(50,9)56-47)28-38(27-34)55-37-22-23-43-45(30-37)54(44-21-15-14-20-42(44)49(43,6)7)46-29-36(24-25-52-46)48(3,4)5;/h10-27,29,32H,31H2,1-9H3;/q-2;+2/t50-,51+;/m1./s1
• InChIKey: QQPIGLHDTVNYDY-ZILCTCJPSA-N
• XLogP: 12.68
• TPSA: 46.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.05
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
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 (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)?

The IUPAC name of (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+) (CID 170934809) is (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+).

What is the SMILES notation for (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)?

The canonical SMILES for (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+) is CC(C)c1cc(Oc2[c-]c3c(cc2)C(C)(C)c2ccccc2N3c2cc(C(C)(C)C)ccn2)[c-]c(C2=N[C@]3(C)Cc4ccccc4-c4ccccc4[C@]3(C)O2)c1.[Pt+2].

What is the InChIKey of (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)?

The InChIKey is QQPIGLHDTVNYDY-ZILCTCJPSA-N. The full InChI is InChI=1S/C51H49N3O2.Pt/c1-32(2)34-26-35(47-53-50(8)31-33-16-10-11-17-39(33)40-18-12-13-19-41(40)51(50,9)56-47)28-38(27-34)55-37-22-23-43-45(30-37)54(44-21-15-14-20-42(44)49(43,6)7)46-29-36(24-25-52-46)48(3,4)5;/h10-27,29,32H,31H2,1-9H3;/q-2;+2/t50-,51+;/m1./s1.

What are the key properties of (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+)?

(2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+) has a molecular weight of 931.05 g/mol, XLogP of 12.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,6R)-4-[3-[[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethyl-4H-acridin-4-id-3-yl]oxy]-5-propan-2-ylbenzene-2-id-1-yl]-2,6-dimethyl-3-oxa-5-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),4,8,10,12,14,16-heptaene;platinum(2+) is sourced from PubChem (CID 170934809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).