9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)

C90H105Ir3N6O6-3 — CID 158916464

IUPAC9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)
SMILESCC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CCn1c2ccccc2c2cc(-c3[c-]cccc3)ncc21.CCn1c2ccccc2c2ccc(-c3[c-]cccc3)nc21.CCn1c2ccccc2c2ccnc(-c3[c-]cccc3)c21.[Ir].[Ir].[Ir]
InChIInChI=1S/3C19H15N2.3C11H20O2.3Ir/c1-2-21-18-11-7-6-10-15(18)16-12-17(20-13-19(16)21)14-8-4-3-5-9-14;1-2-21-18-11-7-6-10-15(18)16-12-13-17(20-19(16)21)14-8-4-3-5-9-14;1-2-21-17-11-7-6-10-15(17)16-12-13-20-18(19(16)21)14-8-4-3-5-9-14;3*1-8(2)5-10(12)7-11(13)6-9(3)4;;;/h3*3-8,10-13H,2H2,1H3;3*7-9,12H,5-6H2,1-4H3;;;/q3*-1;;;;;;
InChIKeySVXLVWZMLLVCLD-UHFFFAOYSA-N
MW1943.52 g/mol
LogP23.29
Rot. Bonds21

About 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)

9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium) (PubChem CID 158916464) has the molecular formula C90H105Ir3N6O6-3 and a molecular weight of 1943.52 g/mol. Its IUPAC name is 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium).

Molecular Properties

Compound Name9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)
PubChem CID158916464
Molecular FormulaC90H105Ir3N6O6-3
Molecular Weight1943.52 g/mol
Exact Mass1944.70
IUPAC Name9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)
SMILESCC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CCn1c2ccccc2c2cc(-c3[c-]cccc3)ncc21.CCn1c2ccccc2c2ccc(-c3[c-]cccc3)nc21.CCn1c2ccccc2c2ccnc(-c3[c-]cccc3)c21.[Ir].[Ir].[Ir]
InChIInChI=1S/3C19H15N2.3C11H20O2.3Ir/c1-2-21-18-11-7-6-10-15(18)16-12-17(20-13-19(16)21)14-8-4-3-5-9-14;1-2-21-18-11-7-6-10-15(18)16-12-13-17(20-19(16)21)14-8-4-3-5-9-14;1-2-21-17-11-7-6-10-15(17)16-12-13-20-18(19(16)21)14-8-4-3-5-9-14;3*1-8(2)5-10(12)7-11(13)6-9(3)4;;;/h3*3-8,10-13H,2H2,1H3;3*7-9,12H,5-6H2,1-4H3;;;/q3*-1;;;;;;
InChIKeySVXLVWZMLLVCLD-UHFFFAOYSA-N
XLogP23.29
TPSA165.36 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001943.52
LogP ≤ 523.29
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 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium) with MolForge

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Related Compounds

(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;iridium;2-phenylquinoline
CID 155627723
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2-methylpropyl)quinoline;bis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 159459244
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)-6-phenylquinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;(Z)-6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;4-methyl-2-phenylpyridine;5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine
CID 158091446
2-(3,5-dimethylbenzene-6-id-1-yl)-6-(4-methylphenyl)-4-(2-methylpropyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-4-(2-methylpropyl)quinoline;6-hydroxy-2,8-dimethylnon-5-en-4-one;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;tetrakis(iridium);5-methyl-2-phenylpyridine;4-[4-(2-methylpropyl)phenyl]-2-phenylpyridine;5-phenyl-2-phenylpyridine;2-phenylpyridine
CID 159042752
CID 162485878
CID 162485878
5-(3,5-dimethylbenzene-6-id-1-yl)indeno[1,2-c]isoquinolin-11-one;5-(3,5-dimethylbenzene-6-id-1-yl)-9-methylindeno[2,1-c]isoquinolin-7-one;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium);9-methyl-5-phenylindeno[2,1-c]isoquinolin-7-one;5-phenylindeno[1,2-c]isoquinolin-11-one
CID 160725517
4-ethyl-5-phenyl-2-phenylpyridine;iridium;9-(2-methylpropyl)-2-pyridin-2-yl-3H-carbazol-3-ide
CID 59500290
(Z)-4-hydroxypent-3-en-2-one;iridium;4-phenylbenzo[f]isoquinoline
CID 59470234
[6-(9-ethyl-2H-carbazol-2-id-3-yl)-4-phenyl-3-pyridinyl]-trimethylsilane;bis(iridium);2-methyl-6-phenylpyridine;2-phenyl-6-(trideuteriomethyl)pyridine;trimethyl-[4-(2-methylpropyl)-6-(9-phenyl-2H-carbazol-2-id-3-yl)-3-pyridinyl]silane
CID 158782772
(Z)-6-hydroxy-3,7-dimethylnon-5-en-4-one;iridium;1-phenyl-6-propan-2-ylisoquinoline
CID 168744189
CID 162474247
CID 162474247
2-(3,5-dimethylbenzene-6-id-1-yl)-4-(4-fluorophenyl)quinoline;2-(3,5-dimethylbenzene-6-id-1-yl)-6-phenylquinoline;4-(4-fluorophenyl)-2-(3-phenylbenzene-6-id-1-yl)quinoline;5-(4-fluorophenyl)-2-phenylquinoline;tetrakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);tetrakis(iridium)
CID 160744997

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)?
The IUPAC name of 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium) (CID 158916464) is 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium).
What is the SMILES notation for 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)?
The canonical SMILES for 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium) is CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.CCn1c2ccccc2c2cc(-c3[c-]cccc3)ncc21.CCn1c2ccccc2c2ccc(-c3[c-]cccc3)nc21.CCn1c2ccccc2c2ccnc(-c3[c-]cccc3)c21.[Ir].[Ir].[Ir].
What is the InChIKey of 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)?
The InChIKey is SVXLVWZMLLVCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H15N2.3C11H20O2.3Ir/c1-2-21-18-11-7-6-10-15(18)16-12-17(20-13-19(16)21)14-8-4-3-5-9-14;1-2-21-18-11-7-6-10-15(18)16-12-13-17(20-19(16)21)14-8-4-3-5-9-14;1-2-21-17-11-7-6-10-15(17)16-12-13-20-18(19(16)21)14-8-4-3-5-9-14;3*1-8(2)5-10(12)7-11(13)6-9(3)4;;;/h3*3-8,10-13H,2H2,1H3;3*7-9,12H,5-6H2,1-4H3;;;/q3*-1;;;;;;.
What are the key properties of 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium)?
9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium) has a molecular weight of 1943.52 g/mol, XLogP of 23.29, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-1-phenylpyrido[3,4-b]indole;9-ethyl-2-phenylpyrido[2,3-b]indole;9-ethyl-3-phenylpyrido[3,4-b]indole;tris(6-hydroxy-2,8-dimethylnon-5-en-4-one);tris(iridium) is sourced from PubChem (CID 158916464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).