2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)

C98H112Ir3N3O9-3 — CID 158357128

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc3oc(-c4c(C)cc(C(C)(C)C)cc4C)cc3cn2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2cc3oc(-c4c(C)cc(C)cc4C)cc3cn2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2cc3oc(-c4cc(C)cc(C)c4)cc3cn2)cc(C(C)(C)C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C30H34NO.C27H28NO.C26H26NO.3C5H8O2.3Ir/c1-18-10-21(14-23(11-18)29(4,5)6)25-16-26-22(17-31-25)15-27(32-26)28-19(2)12-24(13-20(28)3)30(7,8)9;1-16-8-18(3)26(19(4)9-16)25-13-21-15-28-23(14-24(21)29-25)20-10-17(2)11-22(12-20)27(5,6)7;1-16-7-17(2)10-20(9-16)24-13-21-15-27-23(14-25(21)28-24)19-8-18(3)11-22(12-19)26(4,5)6;3*1-4(6)3-5(2)7;;;/h11-17H,1-9H3;8-9,11-15H,1-7H3;7,9-15H,1-6H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyBUFCOJYYAMQPDO-UHFFFAOYSA-N
MW2052.64 g/mol
LogP26.26
Rot. Bonds9

About 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)

2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) (PubChem CID 158357128) has the molecular formula C98H112Ir3N3O9-3 and a molecular weight of 2052.64 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium).

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
PubChem CID158357128
Molecular FormulaC98H112Ir3N3O9-3
Molecular Weight2052.64 g/mol
Exact Mass2053.73
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc3oc(-c4c(C)cc(C(C)(C)C)cc4C)cc3cn2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2cc3oc(-c4c(C)cc(C)cc4C)cc3cn2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2cc3oc(-c4cc(C)cc(C)c4)cc3cn2)cc(C(C)(C)C)c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C30H34NO.C27H28NO.C26H26NO.3C5H8O2.3Ir/c1-18-10-21(14-23(11-18)29(4,5)6)25-16-26-22(17-31-25)15-27(32-26)28-19(2)12-24(13-20(28)3)30(7,8)9;1-16-8-18(3)26(19(4)9-16)25-13-21-15-28-23(14-24(21)29-25)20-10-17(2)11-22(12-20)27(5,6)7;1-16-7-17(2)10-20(9-16)24-13-21-15-27-23(14-25(21)28-24)19-8-18(3)11-22(12-19)26(4,5)6;3*1-4(6)3-5(2)7;;;/h11-17H,1-9H3;8-9,11-15H,1-7H3;7,9-15H,1-6H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;
InChIKeyBUFCOJYYAMQPDO-UHFFFAOYSA-N
XLogP26.26
TPSA189.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002052.64
LogP ≤ 526.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) with MolForge

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Related Compounds

2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626401
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-fluorophenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626096
6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-propan-2-ylphenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626517
6-(3,5-dimethylbenzene-6-id-1-yl)-2-(2,6-dimethylphenyl)furo[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626577
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-phenylfuro[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626772
2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)thieno[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626488
2-(3,5-ditert-butylphenyl)-5-(3,5-dimethylbenzene-6-id-1-yl)furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-[2,6-di(propan-2-yl)phenyl]furo[2,3-c]pyridine;5-(3,5-dimethylbenzene-6-id-1-yl)-2-(4-propan-2-ylphenyl)furo[2,3-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)
CID 161174618
2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3,5-dimethylbenzene-6-id-1-yl)thieno[3,2-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626739
5-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(4-methylphenyl)thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626712
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;6-(3,5-dimethylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;iridium
CID 155626405
5-(3,5-dimethylbenzene-6-id-1-yl)-2-[3,5-di(propan-2-yl)phenyl]furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626590
8-[2-(3,5-dimethylphenyl)furo[3,2-c]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;tris(4-hydroxypent-3-en-2-one);tris(iridium);2-methyl-8-[2-(4-methylphenyl)furo[3,2-c]pyridin-6-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;2-methyl-8-[2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridin-6-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 159734062

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) (CID 158357128) is 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium).
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1[c-]c(-c2cc3oc(-c4c(C)cc(C(C)(C)C)cc4C)cc3cn2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2cc3oc(-c4c(C)cc(C)cc4C)cc3cn2)cc(C(C)(C)C)c1.Cc1[c-]c(-c2cc3oc(-c4cc(C)cc(C)c4)cc3cn2)cc(C(C)(C)C)c1.[Ir].[Ir].[Ir].
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
The InChIKey is BUFCOJYYAMQPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34NO.C27H28NO.C26H26NO.3C5H8O2.3Ir/c1-18-10-21(14-23(11-18)29(4,5)6)25-16-26-22(17-31-25)15-27(32-26)28-19(2)12-24(13-20(28)3)30(7,8)9;1-16-8-18(3)26(19(4)9-16)25-13-21-15-28-23(14-24(21)29-25)20-10-17(2)11-22(12-20)27(5,6)7;1-16-7-17(2)10-20(9-16)24-13-21-15-27-23(14-25(21)28-24)19-8-18(3)11-22(12-19)26(4,5)6;3*1-4(6)3-5(2)7;;;/h11-17H,1-9H3;8-9,11-15H,1-7H3;7,9-15H,1-6H3;3*3,6H,1-2H3;;;/q3*-1;;;;;;.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium)?
2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) has a molecular weight of 2052.64 g/mol, XLogP of 26.26, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(3,5-dimethylphenyl)furo[3,2-c]pyridine;6-(3-tert-butyl-5-methylbenzene-6-id-1-yl)-2-(2,4,6-trimethylphenyl)furo[3,2-c]pyridine;tris(4-hydroxypent-3-en-2-one);tris(iridium) is sourced from PubChem (CID 158357128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).