2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)

C217H226Ir6N6O14S-6 — CID 160750686

IUPAC2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(-c3ccccc3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccccc3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)oc2ccccc24)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)oc2ccccc24)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)sc2ccccc24)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C32H26N.C30H30N.2C27H24NO.C27H24NS.2C11H20O2.4C5H8O2.6Ir/c2*1-20-14-21(2)16-23(15-20)30-18-25(22-10-6-5-7-11-22)27-17-26-24-12-8-9-13-28(24)32(3,4)29(26)19-31(27)33-30;1-18(2)11-21-15-28(22-13-19(3)12-20(4)14-22)31-29-17-27-25(16-24(21)29)23-9-7-8-10-26(23)30(27,5)6;3*1-16(2)9-19-13-24(20-11-17(3)10-18(4)12-20)28-25-15-27-23(14-22(19)25)21-7-5-6-8-26(21)29-27;2*1-8(2)5-10(12)7-11(13)6-9(3)4;4*1-4(6)3-5(2)7;;;;;;/h2*5-15,17-19H,1-4H3;7-10,12-13,15-18H,11H2,1-6H3;3*5-8,10-11,13-16H,9H2,1-4H3;2*7-9,12H,5-6H2,1-4H3;4*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyQQZGHCABVUOHEM-UHFFFAOYSA-N
MW4327.59 g/mol
LogP57.44
Rot. Bonds30

About 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)

2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium) (PubChem CID 160750686) has the molecular formula C217H226Ir6N6O14S-6 and a molecular weight of 4327.59 g/mol. Its IUPAC name is 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium).

Molecular Properties

Compound Name2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)
PubChem CID160750686
Molecular FormulaC217H226Ir6N6O14S-6
Molecular Weight4327.59 g/mol
Exact Mass4329.47
IUPAC Name2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(-c3ccccc3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccccc3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)oc2ccccc24)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)oc2ccccc24)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)sc2ccccc24)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/2C32H26N.C30H30N.2C27H24NO.C27H24NS.2C11H20O2.4C5H8O2.6Ir/c2*1-20-14-21(2)16-23(15-20)30-18-25(22-10-6-5-7-11-22)27-17-26-24-12-8-9-13-28(24)32(3,4)29(26)19-31(27)33-30;1-18(2)11-21-15-28(22-13-19(3)12-20(4)14-22)31-29-17-27-25(16-24(21)29)23-9-7-8-10-26(23)30(27,5)6;3*1-16(2)9-19-13-24(20-11-17(3)10-18(4)12-20)28-25-15-27-23(14-22(19)25)21-7-5-6-8-26(21)29-27;2*1-8(2)5-10(12)7-11(13)6-9(3)4;4*1-4(6)3-5(2)7;;;;;;/h2*5-15,17-19H,1-4H3;7-10,12-13,15-18H,11H2,1-6H3;3*5-8,10-11,13-16H,9H2,1-4H3;2*7-9,12H,5-6H2,1-4H3;4*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;
InChIKeyQQZGHCABVUOHEM-UHFFFAOYSA-N
XLogP57.44
TPSA327.42 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds30
Heavy Atoms244
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004327.59
LogP ≤ 557.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)?
The IUPAC name of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium) (CID 160750686) is 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium).
What is the SMILES notation for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)?
The canonical SMILES for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1[c-]c(-c2cc(-c3ccccc3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(-c3ccccc3)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)oc2ccccc24)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)oc2ccccc24)cc(C)c1.Cc1[c-]c(-c2cc(CC(C)C)c3cc4c(cc3n2)sc2ccccc24)cc(C)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)?
The InChIKey is QQZGHCABVUOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H26N.C30H30N.2C27H24NO.C27H24NS.2C11H20O2.4C5H8O2.6Ir/c2*1-20-14-21(2)16-23(15-20)30-18-25(22-10-6-5-7-11-22)27-17-26-24-12-8-9-13-28(24)32(3,4)29(26)19-31(27)33-30;1-18(2)11-21-15-28(22-13-19(3)12-20(4)14-22)31-29-17-27-25(16-24(21)29)23-9-7-8-10-26(23)30(27,5)6;3*1-16(2)9-19-13-24(20-11-17(3)10-18(4)12-20)28-25-15-27-23(14-22(19)25)21-7-5-6-8-26(21)29-27;2*1-8(2)5-10(12)7-11(13)6-9(3)4;4*1-4(6)3-5(2)7;;;;;;/h2*5-15,17-19H,1-4H3;7-10,12-13,15-18H,11H2,1-6H3;3*5-8,10-11,13-16H,9H2,1-4H3;2*7-9,12H,5-6H2,1-4H3;4*3,6H,1-2H3;;;;;;/q6*-1;;;;;;;;;;;;.
What are the key properties of 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium)?
2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium) has a molecular weight of 4327.59 g/mol, XLogP of 57.44, 30 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline;bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-phenylindeno[1,2-g]quinoline);bis(2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzofuro[3,2-g]quinoline);2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-[1]benzothiolo[3,2-g]quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(4-hydroxypent-3-en-2-one);hexakis(iridium) is sourced from PubChem (CID 160750686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).