4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

C182H181FIr4N8O3Si5-8 — CID 163658203

IUPAC4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(CC2CCCCC2)ccn1
InChIInChI=1S/C28H28NSi.C24H22NO.2C23H26NSi.C22H23FNSi.C22H20NO.C20H16NO.C20H20NSi.4Ir/c1-21(22-12-7-5-8-13-22)26-19-27(29-20-28(26)30(2,3)4)25-17-11-16-24(18-25)23-14-9-6-10-15-23;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;2*1-17-11-13-20(14-12-17)22-15-21(23(16-24-22)25(3,4)5)18(2)19-9-7-6-8-10-19;1-16(17-8-6-5-7-9-17)20-14-21(18-10-12-19(23)13-11-18)24-15-22(20)25(2,3)4;1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;;;;/h5-16,18-21H,1-4H3;4-6,9-10,12-14,16-17H,1-3,7-8,15H2;2*6-13,15-16,18H,1-5H3;5-10,12-16H,1-4H3;4-8,10-13H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;;;;/q8*-1;;;;
InChIKeyWUIPUNOKMWLSAZ-UHFFFAOYSA-N
MW3456.80 g/mol
LogP46.34
Rot. Bonds27

About 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane

4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (PubChem CID 163658203) has the molecular formula C182H181FIr4N8O3Si5-8 and a molecular weight of 3456.80 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
PubChem CID163658203
Molecular FormulaC182H181FIr4N8O3Si5-8
Molecular Weight3456.80 g/mol
Exact Mass3457.16
IUPAC Name4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane
SMILESCC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(CC2CCCCC2)ccn1
InChIInChI=1S/C28H28NSi.C24H22NO.2C23H26NSi.C22H23FNSi.C22H20NO.C20H16NO.C20H20NSi.4Ir/c1-21(22-12-7-5-8-13-22)26-19-27(29-20-28(26)30(2,3)4)25-17-11-16-24(18-25)23-14-9-6-10-15-23;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;2*1-17-11-13-20(14-12-17)22-15-21(23(16-24-22)25(3,4)5)18(2)19-9-7-6-8-10-19;1-16(17-8-6-5-7-9-17)20-14-21(18-10-12-19(23)13-11-18)24-15-22(20)25(2,3)4;1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;;;;/h5-16,18-21H,1-4H3;4-6,9-10,12-14,16-17H,1-3,7-8,15H2;2*6-13,15-16,18H,1-5H3;5-10,12-16H,1-4H3;4-8,10-13H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;;;;/q8*-1;;;;
InChIKeyWUIPUNOKMWLSAZ-UHFFFAOYSA-N
XLogP46.34
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003456.80
LogP ≤ 546.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The IUPAC name of 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane (CID 163658203) is 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane.
What is the SMILES notation for 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The canonical SMILES for 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is CC(C)(C)Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.CC(c1ccccc1)c1cc(-c2[c-]cc(F)cc2)ncc1[Si](C)(C)C.CC(c1ccccc1)c1cc(-c2[c-]ccc(-c3ccccc3)c2)ncc1[Si](C)(C)C.C[Si](C)(C)c1ccc(-c2[c-]ccc(-c3ccccc3)c2)nc1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.Cc1c[c-]c(-c2cc(C(C)c3ccccc3)c([Si](C)(C)C)cn2)cc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1cc(CC2CCCCC2)ccn1.
What is the InChIKey of 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
The InChIKey is WUIPUNOKMWLSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28NSi.C24H22NO.2C23H26NSi.C22H23FNSi.C22H20NO.C20H16NO.C20H20NSi.4Ir/c1-21(22-12-7-5-8-13-22)26-19-27(29-20-28(26)30(2,3)4)25-17-11-16-24(18-25)23-14-9-6-10-15-23;1-2-7-17(8-3-1)15-18-13-14-25-22(16-18)21-11-6-10-20-19-9-4-5-12-23(19)26-24(20)21;2*1-17-11-13-20(14-12-17)22-15-21(23(16-24-22)25(3,4)5)18(2)19-9-7-6-8-10-19;1-16(17-8-6-5-7-9-17)20-14-21(18-10-12-19(23)13-11-18)24-15-22(20)25(2,3)4;1-22(2,3)14-15-11-12-23-19(13-15)18-9-6-8-17-16-7-4-5-10-20(16)24-21(17)18;1-13(2)14-10-11-21-18(12-14)17-8-5-7-16-15-6-3-4-9-19(15)22-20(16)17;1-22(2,3)19-12-13-20(21-15-19)18-11-7-10-17(14-18)16-8-5-4-6-9-16;;;;/h5-16,18-21H,1-4H3;4-6,9-10,12-14,16-17H,1-3,7-8,15H2;2*6-13,15-16,18H,1-5H3;5-10,12-16H,1-4H3;4-8,10-13H,14H2,1-3H3;3-7,9-13H,1-2H3;4-10,12-15H,1-3H3;;;;/q8*-1;;;;.
What are the key properties of 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane?
4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane has a molecular weight of 3456.80 g/mol, XLogP of 46.34, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-2-(3H-dibenzofuran-3-id-4-yl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine;[6-(4-fluorobenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]-trimethylsilane;tetrakis(iridium);bis(trimethyl-[6-(4-methylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane);trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-4-(1-phenylethyl)-3-pyridinyl]silane;trimethyl-[6-(3-phenylbenzene-6-id-1-yl)-3-pyridinyl]silane is sourced from PubChem (CID 163658203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).