1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline

C132H140Ir3N3O9-3 — CID 161461301

IUPAC1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.Cc1[c-]c(-c2cc(C3CCCC3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.Cc1[c-]c(-c2cc(CC(C)C)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C32H20NO.C31H24NO.C30H24NO.3C13H24O2.3Ir/c1-20-17-26-24-13-7-8-14-30(24)34-32(26)27(18-20)29-19-25(21-9-3-2-4-10-21)31-23-12-6-5-11-22(23)15-16-28(31)33-29;1-19-16-25-23-12-6-7-13-29(23)33-31(25)26(17-19)28-18-24(20-8-2-3-9-20)30-22-11-5-4-10-21(22)14-15-27(30)32-28;1-18(2)14-21-17-27(31-26-13-12-20-8-4-5-9-22(20)29(21)26)25-16-19(3)15-24-23-10-6-7-11-28(23)32-30(24)25;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h2-17,19H,1H3;4-7,10-16,18,20H,2-3,8-9H2,1H3;4-13,15,17-18H,14H2,1-3H3;3*9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyDDXYZLYXWOWKAQ-UHFFFAOYSA-N
MW2489.23 g/mol
LogP37.31
Rot. Bonds28

About 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline

1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline (PubChem CID 161461301) has the molecular formula C132H140Ir3N3O9-3 and a molecular weight of 2489.23 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline.

Molecular Properties

Compound Name1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline
PubChem CID161461301
Molecular FormulaC132H140Ir3N3O9-3
Molecular Weight2489.23 g/mol
Exact Mass2489.95
IUPAC Name1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline
SMILESCCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.Cc1[c-]c(-c2cc(C3CCCC3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.Cc1[c-]c(-c2cc(CC(C)C)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.[Ir].[Ir].[Ir]
InChIInChI=1S/C32H20NO.C31H24NO.C30H24NO.3C13H24O2.3Ir/c1-20-17-26-24-13-7-8-14-30(24)34-32(26)27(18-20)29-19-25(21-9-3-2-4-10-21)31-23-12-6-5-11-22(23)15-16-28(31)33-29;1-19-16-25-23-12-6-7-13-29(23)33-31(25)26(17-19)28-18-24(20-8-2-3-9-20)30-22-11-5-4-10-21(22)14-15-27(30)32-28;1-18(2)14-21-17-27(31-26-13-12-20-8-4-5-9-22(20)29(21)26)25-16-19(3)15-24-23-10-6-7-11-28(23)32-30(24)25;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h2-17,19H,1H3;4-7,10-16,18,20H,2-3,8-9H2,1H3;4-13,15,17-18H,14H2,1-3H3;3*9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;
InChIKeyDDXYZLYXWOWKAQ-UHFFFAOYSA-N
XLogP37.31
TPSA189.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds28
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002489.23
LogP ≤ 537.31
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline 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

1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156677612
1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-1-(2-methylpropyl)-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium
CID 161163515
1-cyclopentyl-4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156677740
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium
CID 156677710
1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 156677654
carbanide;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;6-(4,4-difluorocyclohexyl)-1-(2-methyl-3H-dibenzofuran-3-id-4-yl)isoquinoline;iridium
CID 168847271
[3-(4-cyclopentyl-5,7-dimethylquinolin-2-yl)-4H-naphthalen-4-id-1-yl]methyl-trimethylsilane;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 170932188
1-cyclopentyl-4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)benzo[f]quinolin-4-ium;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinolin-4-ium;4-methanidyl-3-(2-methyl-3H-dibenzothiophen-3-id-4-yl)-1-phenylbenzo[f]quinolin-4-ium
CID 160904383
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-(2-methylpropyl)isoquinoline;1-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-(3,3,3-trifluoropropyl)isoquinoline
CID 169055403
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;6,6,9,9-tetramethyl-1-(2-methyl-3H-dibenzofuran-3-id-4-yl)-7,8-dihydrobenzo[g]isoquinoline
CID 176812549
4-cyclohexyl-2-(5,7-dimethyl-4-propan-2-yl-1H-naphthalen-1-id-2-yl)quinoline;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 171746669
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;1-(3,5-dimethylbenzene-6-id-1-yl)-6-propan-2-ylisoquinoline;5-fluoro-1-(2-methyl-3H-dibenzofuran-3-id-4-yl)-6-(2-methylpropyl)isoquinoline;iridium
CID 171430139

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline?
The IUPAC name of 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline (CID 161461301) is 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline.
What is the SMILES notation for 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline?
The canonical SMILES for 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2cc(-c3ccccc3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.Cc1[c-]c(-c2cc(C3CCCC3)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.Cc1[c-]c(-c2cc(CC(C)C)c3c(ccc4ccccc43)n2)c2oc3ccccc3c2c1.[Ir].[Ir].[Ir].
What is the InChIKey of 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline?
The InChIKey is DDXYZLYXWOWKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20NO.C31H24NO.C30H24NO.3C13H24O2.3Ir/c1-20-17-26-24-13-7-8-14-30(24)34-32(26)27(18-20)29-19-25(21-9-3-2-4-10-21)31-23-12-6-5-11-22(23)15-16-28(31)33-29;1-19-16-25-23-12-6-7-13-29(23)33-31(25)26(17-19)28-18-24(20-8-2-3-9-20)30-22-11-5-4-10-21(22)14-15-27(30)32-28;1-18(2)14-21-17-27(31-26-13-12-20-8-4-5-9-22(20)29(21)26)25-16-19(3)15-24-23-10-6-7-11-28(23)32-30(24)25;3*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;/h2-17,19H,1H3;4-7,10-16,18,20H,2-3,8-9H2,1H3;4-13,15,17-18H,14H2,1-3H3;3*9-11,14H,5-8H2,1-4H3;;;/q3*-1;;;;;;.
What are the key properties of 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline?
1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline has a molecular weight of 2489.23 g/mol, XLogP of 37.31, 28 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2-methyl-3H-dibenzofuran-3-id-4-yl)benzo[f]quinoline;tris(3,7-diethyl-6-hydroxynon-5-en-4-one);tris(iridium);3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-(2-methylpropyl)benzo[f]quinoline;3-(2-methyl-3H-dibenzofuran-3-id-4-yl)-1-phenylbenzo[f]quinoline is sourced from PubChem (CID 161461301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).