5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium

C51H51IrN3O2-2 — CID 153432944

IUPAC5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium
SMILES[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[c-]1ccc2c(oc3ccc(C4CCCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1
InChIInChI=1S/C29H30NO.C22H21N2O.Ir/c1-3-8-20(9-4-1)22-15-17-28-26(18-22)24-12-7-13-25(29(24)31-28)27-16-14-23(19-30-27)21-10-5-2-6-11-21;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;/h7,12,14-21H,1-6,8-11H2;6,8-12H,1-5H3;/q2*-1;/i;5D3;
InChIKeyXFSDKRRMAZGWIF-WHCZYNPWSA-N
MW933.22 g/mol
LogP14.20
Rot. Bonds5

About 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium

5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium (PubChem CID 153432944) has the molecular formula C51H51IrN3O2-2 and a molecular weight of 933.22 g/mol. Its IUPAC name is 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium.

Molecular Properties

Compound Name5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium
PubChem CID153432944
Molecular FormulaC51H51IrN3O2-2
Molecular Weight933.22 g/mol
Exact Mass933.38
IUPAC Name5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium
SMILES[2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[c-]1ccc2c(oc3ccc(C4CCCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1
InChIInChI=1S/C29H30NO.C22H21N2O.Ir/c1-3-8-20(9-4-1)22-15-17-28-26(18-22)24-12-7-13-25(29(24)31-28)27-16-14-23(19-30-27)21-10-5-2-6-11-21;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;/h7,12,14-21H,1-6,8-11H2;6,8-12H,1-5H3;/q2*-1;/i;5D3;
InChIKeyXFSDKRRMAZGWIF-WHCZYNPWSA-N
XLogP14.20
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.22
LogP ≤ 514.20
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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Related Compounds

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CID 168273209
11-[5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentoxy]-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 168290189
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CID 168291924
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CID 72890574
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium?
The IUPAC name of 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium (CID 153432944) is 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium.
What is the SMILES notation for 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium?
The canonical SMILES for 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium is [2H]C([2H])([2H])N1c2cc[c-]c(-c3cc(C)c(C)cn3)c2Oc2c1ccc(C)c2C.[Ir].[c-]1ccc2c(oc3ccc(C4CCCCC4)cc32)c1-c1ccc(C2CCCCC2)cn1.
What is the InChIKey of 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium?
The InChIKey is XFSDKRRMAZGWIF-WHCZYNPWSA-N. The full InChI is InChI=1S/C29H30NO.C22H21N2O.Ir/c1-3-8-20(9-4-1)22-15-17-28-26(18-22)24-12-7-13-25(29(24)31-28)27-16-14-23(19-30-27)21-10-5-2-6-11-21;1-13-9-10-20-21(16(13)4)25-22-17(7-6-8-19(22)24(20)5)18-11-14(2)15(3)12-23-18;/h7,12,14-21H,1-6,8-11H2;6,8-12H,1-5H3;/q2*-1;/i;5D3;.
What are the key properties of 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium?
5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium has a molecular weight of 933.22 g/mol, XLogP of 14.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(8-cyclohexyl-3H-dibenzofuran-3-id-4-yl)pyridine;4-(4,5-dimethyl-2-pyridinyl)-6,7-dimethyl-10-(trideuteriomethyl)-3H-phenoxazin-3-ide;iridium is sourced from PubChem (CID 153432944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).