[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum

C32H32N4OPt — CID 169066594

About [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum

[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum (PubChem CID 169066594) has the molecular formula C32H32N4OPt and a molecular weight of 686.73 g/mol. Its IUPAC name is [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169066594
• Molecular Formula: C32H32N4OPt
• Molecular Weight: 686.73 g/mol
• Exact Mass: 686.24
• IUPAC Name: [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum
• SMILES: [2H]C([2H])([2H])n1c(=[Pt])n(-c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)CCC4)c2)c2ccccc21
• InChI: InChI=1S/C32H32N4O.Pt/c1-32(2,3)24-16-17-33-31(19-24)35-18-8-9-23-14-15-27(21-30(23)35)37-26-11-7-10-25(20-26)36-22-34(4)28-12-5-6-13-29(28)36;/h5-7,10-17,19-21H,8-9,18H2,1-4H3;/i4D3
• InChIKey: ICVRDQNJRDRKNZ-NXIGQQGZSA-N
• XLogP: 7.62
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.73
LogP ≤ 5	7.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum (CID 169066594) is [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum is [2H]C([2H])([2H])n1c(=[Pt])n(-c2cccc(Oc3ccc4c(c3)N(c3cc(C(C)(C)C)ccn3)CCC4)c2)c2ccccc21.

What is the InChIKey of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?

The InChIKey is ICVRDQNJRDRKNZ-NXIGQQGZSA-N. The full InChI is InChI=1S/C32H32N4O.Pt/c1-32(2,3)24-16-17-33-31(19-24)35-18-8-9-23-14-15-27(21-30(23)35)37-26-11-7-10-25(20-26)36-22-34(4)28-12-5-6-13-29(28)36;/h5-7,10-17,19-21H,8-9,18H2,1-4H3;/i4D3;.

What are the key properties of [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum has a molecular weight of 686.73 g/mol, XLogP of 7.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[1-(4-tert-butyl-2-pyridinyl)-3,4-dihydro-2H-quinolin-7-yl]oxy]phenyl]-3-(trideuteriomethyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169066594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).