bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)

C190H168Ir4N12O4-8 — CID 160835165

About bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)

bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine) (PubChem CID 160835165) has the molecular formula C190H168Ir4N12O4-8 and a molecular weight of 3530.86 g/mol. Its IUPAC name is bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine).

Molecular Properties

• Compound Name: bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)
• PubChem CID: 160835165
• Molecular Formula: C190H168Ir4N12O4-8
• Molecular Weight: 3530.86 g/mol
• Exact Mass: 3531.68
• IUPAC Name: bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)
• SMILES: [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4cc(C([2H])([2H])[2H])c(-c5ccc(C)cc5C([2H])([2H])[2H])cc4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4cc(C([2H])([2H])[2H])c(-c5ccc(C)cc5C([2H])([2H])[2H])cc4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccc(C)cc5C)c(C([2H])([2H])[2H])c4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccc(C)cc5C)c(C([2H])([2H])[2H])c4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/4C34H29N2O.2C14H14N.2C13H12N.4Ir/c2*1-19-10-12-25(20(2)14-19)29-15-22(4)30(16-21(29)3)31-17-32(35-18-23(31)5)28-9-7-8-26-27-13-11-24(6)36-34(27)37-33(26)28;2*1-19-10-12-25(20(2)16-19)26-14-15-27(24(6)23(26)5)31-17-32(35-18-21(31)3)30-9-7-8-28-29-13-11-22(4)36-34(29)37-33(28)30;2*1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;2*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;/h4*7-8,10-18H,1-6H3;2*4-6,8-9H,1-3H3;2*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i2*2D3,3D3,4D3,5D3,6D3;2*3D3,4D3,5D3,6D3;2*1D3,3D3;2*1D3,2D3
• InChIKey: GNTNLSRWVKKNAA-QNSYCZQDSA-N
• XLogP: 49.38
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 42
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3530.86
LogP ≤ 5	49.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)?

The IUPAC name of bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine) (CID 160835165) is bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine).

What is the SMILES notation for bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)?

The canonical SMILES for bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine) is [2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2cc(C)c(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1c[c-]c(-c2ccc(C([2H])([2H])[2H])cn2)cc1.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4cc(C([2H])([2H])[2H])c(-c5ccc(C)cc5C([2H])([2H])[2H])cc4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4cc(C([2H])([2H])[2H])c(-c5ccc(C)cc5C([2H])([2H])[2H])cc4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccc(C)cc5C)c(C([2H])([2H])[2H])c4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[2H]C([2H])([2H])c1ccc2c(n1)oc1c(-c3cc(-c4ccc(-c5ccc(C)cc5C)c(C([2H])([2H])[2H])c4C([2H])([2H])[2H])c(C([2H])([2H])[2H])cn3)[c-]ccc12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)?

The InChIKey is GNTNLSRWVKKNAA-QNSYCZQDSA-N. The full InChI is InChI=1S/4C34H29N2O.2C14H14N.2C13H12N.4Ir/c2*1-19-10-12-25(20(2)14-19)29-15-22(4)30(16-21(29)3)31-17-32(35-18-23(31)5)28-9-7-8-26-27-13-11-24(6)36-34(27)37-33(26)28;2*1-19-10-12-25(20(2)16-19)26-14-15-27(24(6)23(26)5)31-17-32(35-18-21(31)3)30-9-7-8-28-29-13-11-22(4)36-34(29)37-33(28)30;2*1-10-4-6-13(7-5-10)14-8-11(2)12(3)9-15-14;2*1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13;;;;/h4*7-8,10-18H,1-6H3;2*4-6,8-9H,1-3H3;2*3-6,8-9H,1-2H3;;;;/q8*-1;;;;/i2*2D3,3D3,4D3,5D3,6D3;2*3D3,4D3,5D3,6D3;2*1D3,3D3;2*1D3,2D3;;;;.

What are the key properties of bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine)?

bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine) has a molecular weight of 3530.86 g/mol, XLogP of 49.38, 42 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-[4-[4-(2,4-dimethylphenyl)-2,3-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);tetrakis(iridium);bis(8-[4-[4-[4-methyl-2-(trideuteriomethyl)phenyl]-2,5-bis(trideuteriomethyl)phenyl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-methyl-5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine);bis(5-(trideuteriomethyl)-2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine) is sourced from PubChem (CID 160835165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).