bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C148H156Ir5N6O7-6 — CID 158585042

IUPACbis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCC(=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.CC(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.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)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C30H30N.C20H16NO.C18H14N.C12H10N.C11H8N.2C11H20O2.C5H8O2.5Ir/c2*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;1-13(2)14-7-5-8-15-16-9-6-10-17(20(16)22-19(14)15)18-11-3-4-12-21-18;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;/h2*7-10,12-13,15-18H,11H2,1-6H3;3-9,11-13H,1-2H3;2-5,7-13H,1H3;2-5,7-9H,1H3;1-6,8-9H;2*7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;;;/q6*-1;;;;;;;;
InChIKeyRKFFVWYJUOXRLQ-UHFFFAOYSA-N
MW3092.00 g/mol
LogP38.35
Rot. Bonds23

About bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 158585042) has the molecular formula C148H156Ir5N6O7-6 and a molecular weight of 3092.00 g/mol. Its IUPAC name is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Namebis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID158585042
Molecular FormulaC148H156Ir5N6O7-6
Molecular Weight3092.00 g/mol
Exact Mass3094.02
IUPAC Namebis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESCC(=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.CC(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.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)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/2C30H30N.C20H16NO.C18H14N.C12H10N.C11H8N.2C11H20O2.C5H8O2.5Ir/c2*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;1-13(2)14-7-5-8-15-16-9-6-10-17(20(16)22-19(14)15)18-11-3-4-12-21-18;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;/h2*7-10,12-13,15-18H,11H2,1-6H3;3-9,11-13H,1-2H3;2-5,7-13H,1H3;2-5,7-9H,1H3;1-6,8-9H;2*7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;;;/q6*-1;;;;;;;;
InChIKeyRKFFVWYJUOXRLQ-UHFFFAOYSA-N
XLogP38.35
TPSA202.38 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003092.00
LogP ≤ 538.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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 bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine 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

2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;iridium(3+)
CID 153319985
2-(7,7-dimethyl-2H-fluoreno[4,3-b][1]benzofuran-2-id-1-yl)pyridine;2-(7,7-dimethylfluoreno[4,3-b][1]benzofuran-1-yl)pyridine;bis(iridium);methanol;bis(2-phenylpyridine);trifluoromethanesulfonic acid
CID 157099393
2-[4-[2-[3,5-Bis[2-(2-dibenzofuran-4-yl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;2-[4-[2-[3,5-bis[2-(4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-phenylbenzene-6-id-1-yl]-4-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;4-tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;tris(iridium(3+))
CID 157239422
8-(1-cyclopentylethyl)-4-(3,5-dimethylbenzene-6-id-1-yl)-9-(trifluoromethyl)benzo[f]isoquinoline;4-(2H-dibenzofuran-2-id-3-yl)-7-fluorobenzo[f]isoquinoline;4-(3,5-dimethylbenzene-6-id-1-yl)-7-propan-2-yl-9-(trifluoromethyl)benzo[f]isoquinoline;4-[3,5-di(propan-2-yl)benzene-6-id-1-yl]-7-fluorobenzo[f]isoquinoline;tetrakis(6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one);tetrakis(iridium)
CID 157731989
6-Cyclopentyl-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium
CID 157966331
5-Cyclopentyl-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium;5-(cyclopentylmethyl)-2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methylquinolin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-5-(2-methylpropyl)quinolin-1-ium;2-(7-fluoro-3-methyldibenzofuran-4-yl)-1-methyl-4-(3,3,3-trifluoro-2,2-dimethylpropyl)quinolin-1-ium
CID 158522236
4-Tert-butyl-2-[4-[2-[3-[2-[4-(5-tert-butyl-2-pyridinyl)-2-dibenzofuran-4-ylbenzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-dibenzofuran-4-ylbenzene-6-id-1-yl]pyridine;2-[3-dibenzofuran-4-yl-4-[2-[3-[2-[2-dibenzofuran-4-yl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine;tris(iridium(3+));2-[3-(3-phenylphenyl)-4-[2-[3-[2-[2-(3-phenylphenyl)-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)-2-pyridinyl]benzene-5-id-1-yl]phenyl]-5-[2-(2-phenyl-4-pyridin-2-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]-5-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine
CID 158844926
1-(1,7-Difluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-6-(2,2-dimethylpropyl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium;1-(7-fluoro-2,3-dimethyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium
CID 159352793
1,1'-Biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
CID 159578069
iridium;iridium(3+);methanol;2-(6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;2-(6-phenyldibenzofuran-4-yl)pyridine;tris(2-phenylpyridine);trifluoromethanesulfonate
CID 159719721
1,1'-Biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;2-phenoxyethoxybenzene;9-phenylcarbazole;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene
CID 159828601
CID 159928464
CID 159928464

Frequently Asked Questions

What is the IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 158585042) is bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is 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.CC(C)c1cccc2c1oc1c(-c3ccccn3)[c-]ccc12.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)C(C)(C)c2ccccc2-4)cc(C)c1.Cc1ccc(-c2[c-]cccc2)nc1.Cc1ccc(-c2ccnc(-c3[c-]cccc3)c2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is RKFFVWYJUOXRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H30N.C20H16NO.C18H14N.C12H10N.C11H8N.2C11H20O2.C5H8O2.5Ir/c2*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;1-13(2)14-7-5-8-15-16-9-6-10-17(20(16)22-19(14)15)18-11-3-4-12-21-18;1-14-7-9-15(10-8-14)17-11-12-19-18(13-17)16-5-3-2-4-6-16;1-10-7-8-12(13-9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-8(2)5-10(12)7-11(13)6-9(3)4;1-4(6)3-5(2)7;;;;;/h2*7-10,12-13,15-18H,11H2,1-6H3;3-9,11-13H,1-2H3;2-5,7-13H,1H3;2-5,7-9H,1H3;1-6,8-9H;2*7-9,12H,5-6H2,1-4H3;3,6H,1-2H3;;;;;/q6*-1;;;;;;;;.
What are the key properties of bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 3092.00 g/mol, XLogP of 38.35, 23 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(3,5-dimethylbenzene-6-id-1-yl)-10,10-dimethyl-4-(2-methylpropyl)indeno[1,2-g]quinoline);bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);4-hydroxypent-3-en-2-one;pentakis(iridium);4-(4-methylphenyl)-2-phenylpyridine;5-methyl-2-phenylpyridine;2-phenylpyridine;2-(6-propan-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 158585042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).