7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane

C114H135Ir3N6O9Si-3 — CID 162249942

IUPAC7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)Cc1ccc2c(-c3[c-]ccc4c3oc3c(C(C)C)cccc34)ncnc2c1.CC(C)c1cccc2c1oc1c(-c3ncnc4cc(C5CCCC5)ccc34)[c-]ccc12.CC(C)c1cccc2c1oc1c(-c3ncnc4cc([Si](C)(C)C)ccc34)[c-]ccc12.[Ir].[Ir].[Ir]
InChIInChI=1S/C28H25N2O.C27H25N2O.C26H25N2OSi.3C11H20O2.3Ir/c1-17(2)20-9-5-10-21-22-11-6-12-24(28(22)31-27(20)21)26-23-14-13-19(18-7-3-4-8-18)15-25(23)29-16-30-26;1-16(2)13-18-11-12-22-24(14-18)28-15-29-25(22)23-10-6-9-21-20-8-5-7-19(17(3)4)26(20)30-27(21)23;1-16(2)18-8-6-9-19-20-10-7-11-22(26(20)29-25(18)19)24-21-13-12-17(30(3,4)5)14-23(21)27-15-28-24;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h5-6,9-11,13-18H,3-4,7-8H2,1-2H3;5-9,11-12,14-17H,13H2,1-4H3;6-10,12-16H,1-5H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;
InChIKeyZMBNEIKHMXAEQY-UHFFFAOYSA-N
MW2338.10 g/mol
LogP31.02
Rot. Bonds13

About 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane

7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane (PubChem CID 162249942) has the molecular formula C114H135Ir3N6O9Si-3 and a molecular weight of 2338.10 g/mol. Its IUPAC name is 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane.

Molecular Properties

Compound Name7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane
PubChem CID162249942
Molecular FormulaC114H135Ir3N6O9Si-3
Molecular Weight2338.10 g/mol
Exact Mass2338.90
IUPAC Name7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane
SMILESCC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)Cc1ccc2c(-c3[c-]ccc4c3oc3c(C(C)C)cccc34)ncnc2c1.CC(C)c1cccc2c1oc1c(-c3ncnc4cc(C5CCCC5)ccc34)[c-]ccc12.CC(C)c1cccc2c1oc1c(-c3ncnc4cc([Si](C)(C)C)ccc34)[c-]ccc12.[Ir].[Ir].[Ir]
InChIInChI=1S/C28H25N2O.C27H25N2O.C26H25N2OSi.3C11H20O2.3Ir/c1-17(2)20-9-5-10-21-22-11-6-12-24(28(22)31-27(20)21)26-23-14-13-19(18-7-3-4-8-18)15-25(23)29-16-30-26;1-16(2)13-18-11-12-22-24(14-18)28-15-29-25(22)23-10-6-9-21-20-8-5-7-19(17(3)4)26(20)30-27(21)23;1-16(2)18-8-6-9-19-20-10-7-11-22(26(20)29-25(18)19)24-21-13-12-17(30(3,4)5)14-23(21)27-15-28-24;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h5-6,9-11,13-18H,3-4,7-8H2,1-2H3;5-9,11-12,14-17H,13H2,1-4H3;6-10,12-16H,1-5H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;
InChIKeyZMBNEIKHMXAEQY-UHFFFAOYSA-N
XLogP31.02
TPSA228.66 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002338.10
LogP ≤ 531.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclopentyl-4-(3H-dibenzothiophen-3-id-4-yl)quinazoline;4-(3H-dibenzothiophen-3-id-4-yl)-7-(2-methylpropyl)quinazoline;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylgermane;[4-(3H-dibenzothiophen-3-id-4-yl)quinazolin-7-yl]-trimethylsilane;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)
CID 159836131
4-(3H-dibenzofuran-3-id-4-yl)-7-(2-methylpropyl)quinazoline;5-hydroxy-2,6-dimethylhept-4-en-3-one;iridium
CID 157364437
6-cyclopentyl-1-(6-methyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium
CID 167337788
4-(3H-dibenzofuran-3-id-4-yl)-8,10-di(propan-2-yl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692769
4-(3H-dibenzofuran-3-id-4-yl)-10-(2-methylpropyl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162693290
(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;8-[10-(2-methylpropyl)benzo[h]quinazolin-4-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 162692733
4-(3H-dibenzofuran-3-id-4-yl)-7-naphthalen-1-ylquinazoline;4-(3H-dibenzofuran-3-id-4-yl)-7-pyridin-2-ylquinazoline;4-(3H-dibenzofuran-3-id-4-yl)-7-pyridin-3-ylquinazoline;4-(3H-dibenzofuran-3-id-4-yl)-7-pyridin-4-ylquinazoline;tetrakis(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tetrakis(iridium)
CID 157067996
4-(4-tert-butylbenzene-6-id-1-yl)-10-methylbenzo[h]quinazoline;4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;tetrakis(3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one);8,10-di(propan-2-yl)-4-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)benzo[h]quinazoline;tetrakis(iridium);4-(4-methylbenzene-6-id-1-yl)benzo[h]quinazoline
CID 163477740
4-(4-cyclohexylbenzene-6-id-1-yl)-10-(2-methylpropyl)benzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692684
4-(3H-dibenzofuran-3-id-4-yl)-6-methylbenzo[h]quinazoline;(Z)-3,7-diethyl-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium
CID 162692390
1-(3H-dibenzofuran-3-id-4-yl)-5-methylnaphtho[1,2-h]quinazoline;(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium
CID 162693360
7-tert-butyl-4-(2H-naphthalen-2-id-1-yl)quinazoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;iridium;methane
CID 158538582

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane?
The IUPAC name of 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane (CID 162249942) is 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane.
What is the SMILES notation for 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane?
The canonical SMILES for 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane is CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)(C)C(=O)C=C(O)C(C)(C)C.CC(C)Cc1ccc2c(-c3[c-]ccc4c3oc3c(C(C)C)cccc34)ncnc2c1.CC(C)c1cccc2c1oc1c(-c3ncnc4cc(C5CCCC5)ccc34)[c-]ccc12.CC(C)c1cccc2c1oc1c(-c3ncnc4cc([Si](C)(C)C)ccc34)[c-]ccc12.[Ir].[Ir].[Ir].
What is the InChIKey of 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane?
The InChIKey is ZMBNEIKHMXAEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N2O.C27H25N2O.C26H25N2OSi.3C11H20O2.3Ir/c1-17(2)20-9-5-10-21-22-11-6-12-24(28(22)31-27(20)21)26-23-14-13-19(18-7-3-4-8-18)15-25(23)29-16-30-26;1-16(2)13-18-11-12-22-24(14-18)28-15-29-25(22)23-10-6-9-21-20-8-5-7-19(17(3)4)26(20)30-27(21)23;1-16(2)18-8-6-9-19-20-10-7-11-22(26(20)29-25(18)19)24-21-13-12-17(30(3,4)5)14-23(21)27-15-28-24;3*1-10(2,3)8(12)7-9(13)11(4,5)6;;;/h5-6,9-11,13-18H,3-4,7-8H2,1-2H3;5-9,11-12,14-17H,13H2,1-4H3;6-10,12-16H,1-5H3;3*7,12H,1-6H3;;;/q3*-1;;;;;;.
What are the key properties of 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane?
7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane has a molecular weight of 2338.10 g/mol, XLogP of 31.02, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;tris(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);tris(iridium);7-(2-methylpropyl)-4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazoline;trimethyl-[4-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)quinazolin-7-yl]silane is sourced from PubChem (CID 162249942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).