3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)

C37H30N4OPt — CID 153423538

IUPAC3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)
SMILESCc1cccc(C)c1-n1cc(Oc2ccccn2)nc1-c1[c-]c2c(cc1)C(C)(C)c1ccccc1N2c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C37H30N4O.Pt/c1-25-13-12-14-26(2)35(25)40-24-34(42-33-19-10-11-22-38-33)39-36(40)27-20-21-30-32(23-27)41(28-15-6-5-7-16-28)31-18-9-8-17-29(31)37(30,3)4;/h5-15,17-22,24H,1-4H3;/q-2;+2
InChIKeyBJUDUPHQIPXRAP-UHFFFAOYSA-N
MW741.75 g/mol
LogP9.05
Rot. Bonds5

About 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)

3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+) (PubChem CID 153423538) has the molecular formula C37H30N4OPt and a molecular weight of 741.75 g/mol. Its IUPAC name is 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+).

Molecular Properties

Compound Name3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)
PubChem CID153423538
Molecular FormulaC37H30N4OPt
Molecular Weight741.75 g/mol
Exact Mass741.21
IUPAC Name3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)
SMILESCc1cccc(C)c1-n1cc(Oc2ccccn2)nc1-c1[c-]c2c(cc1)C(C)(C)c1ccccc1N2c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C37H30N4O.Pt/c1-25-13-12-14-26(2)35(25)40-24-34(42-33-19-10-11-22-38-33)39-36(40)27-20-21-30-32(23-27)41(28-15-6-5-7-16-28)31-18-9-8-17-29(31)37(30,3)4;/h5-15,17-22,24H,1-4H3;/q-2;+2
InChIKeyBJUDUPHQIPXRAP-UHFFFAOYSA-N
XLogP9.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.75
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)?
The IUPAC name of 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+) (CID 153423538) is 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+).
What is the SMILES notation for 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)?
The canonical SMILES for 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+) is Cc1cccc(C)c1-n1cc(Oc2ccccn2)nc1-c1[c-]c2c(cc1)C(C)(C)c1ccccc1N2c1[c-]cccc1.[Pt+2].
What is the InChIKey of 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)?
The InChIKey is BJUDUPHQIPXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N4O.Pt/c1-25-13-12-14-26(2)35(25)40-24-34(42-33-19-10-11-22-38-33)39-36(40)27-20-21-30-32(23-27)41(28-15-6-5-7-16-28)31-18-9-8-17-29(31)37(30,3)4;/h5-15,17-22,24H,1-4H3;/q-2;+2.
What are the key properties of 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+)?
3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+) has a molecular weight of 741.75 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethylphenyl)-4-pyridin-2-yloxyimidazol-2-yl]-9,9-dimethyl-10-phenyl-4H-acridin-4-ide;platinum(2+) is sourced from PubChem (CID 153423538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).