pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one

C148H156Ir5N5O15-5 — CID 158256277

IUPACpentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one
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.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1cc[c-]c(-c2cc3c(cn2)-c2ccccc2C3=O)c1.Cc1cc[c-]c(-c2cc3c(cn2)C(=O)c2ccccc2-3)c1.Cc1cc[c-]c(-c2nccc3c2C(=O)c2ccccc2-3)c1.O=C1c2ccccc2-c2cc(-c3[c-]cccc3)ncc21.O=C1c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C19H12NO.2C18H10NO.5C11H20O2.5Ir/c1-12-5-4-6-13(9-12)18-10-16-17(11-20-18)14-7-2-3-8-15(14)19(16)21;1-12-5-4-6-13(9-12)18-10-16-14-7-2-3-8-15(14)19(21)17(16)11-20-18;1-12-5-4-6-13(11-12)18-17-15(9-10-20-18)14-7-2-3-8-16(14)19(17)21;20-18-14-9-5-4-8-13(14)15-10-17(19-11-16(15)18)12-6-2-1-3-7-12;20-18-15-9-5-4-8-13(15)14-10-11-19-17(16(14)18)12-6-2-1-3-7-12;5*1-8(2)5-10(12)7-11(13)6-9(3)4;;;;;/h3*2-5,7-11H,1H3;2*1-6,8-11H;5*7-9,12H,5-6H2,1-4H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyPPIPCYCWHQYRNQ-UHFFFAOYSA-N
MW3205.98 g/mol
LogP35.16
Rot. Bonds30

About pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one

pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one (PubChem CID 158256277) has the molecular formula C148H156Ir5N5O15-5 and a molecular weight of 3205.98 g/mol. Its IUPAC name is pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one.

Molecular Properties

Compound Namepentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one
PubChem CID158256277
Molecular FormulaC148H156Ir5N5O15-5
Molecular Weight3205.98 g/mol
Exact Mass3207.98
IUPAC Namepentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one
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.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1cc[c-]c(-c2cc3c(cn2)-c2ccccc2C3=O)c1.Cc1cc[c-]c(-c2cc3c(cn2)C(=O)c2ccccc2-3)c1.Cc1cc[c-]c(-c2nccc3c2C(=O)c2ccccc2-3)c1.O=C1c2ccccc2-c2cc(-c3[c-]cccc3)ncc21.O=C1c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.[Ir].[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/3C19H12NO.2C18H10NO.5C11H20O2.5Ir/c1-12-5-4-6-13(9-12)18-10-16-17(11-20-18)14-7-2-3-8-15(14)19(16)21;1-12-5-4-6-13(9-12)18-10-16-14-7-2-3-8-15(14)19(21)17(16)11-20-18;1-12-5-4-6-13(11-12)18-17-15(9-10-20-18)14-7-2-3-8-16(14)19(17)21;20-18-14-9-5-4-8-13(14)15-10-17(19-11-16(15)18)12-6-2-1-3-7-12;20-18-15-9-5-4-8-13(15)14-10-11-19-17(16(14)18)12-6-2-1-3-7-12;5*1-8(2)5-10(12)7-11(13)6-9(3)4;;;;;/h3*2-5,7-11H,1H3;2*1-6,8-11H;5*7-9,12H,5-6H2,1-4H3;;;;;/q5*-1;;;;;;;;;;
InChIKeyPPIPCYCWHQYRNQ-UHFFFAOYSA-N
XLogP35.16
TPSA336.30 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003205.98
LogP ≤ 535.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

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 pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one?
The IUPAC name of pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one (CID 158256277) is pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one.
What is the SMILES notation for pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one?
The canonical SMILES for pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one 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.CC(C)CC(=O)C=C(O)CC(C)C.CC(C)CC(=O)C=C(O)CC(C)C.Cc1cc[c-]c(-c2cc3c(cn2)-c2ccccc2C3=O)c1.Cc1cc[c-]c(-c2cc3c(cn2)C(=O)c2ccccc2-3)c1.Cc1cc[c-]c(-c2nccc3c2C(=O)c2ccccc2-3)c1.O=C1c2ccccc2-c2cc(-c3[c-]cccc3)ncc21.O=C1c2ccccc2-c2ccnc(-c3[c-]cccc3)c21.[Ir].[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one?
The InChIKey is PPIPCYCWHQYRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H12NO.2C18H10NO.5C11H20O2.5Ir/c1-12-5-4-6-13(9-12)18-10-16-17(11-20-18)14-7-2-3-8-15(14)19(16)21;1-12-5-4-6-13(9-12)18-10-16-14-7-2-3-8-15(14)19(21)17(16)11-20-18;1-12-5-4-6-13(11-12)18-17-15(9-10-20-18)14-7-2-3-8-16(14)19(17)21;20-18-14-9-5-4-8-13(14)15-10-17(19-11-16(15)18)12-6-2-1-3-7-12;20-18-15-9-5-4-8-13(15)14-10-11-19-17(16(14)18)12-6-2-1-3-7-12;5*1-8(2)5-10(12)7-11(13)6-9(3)4;;;;;/h3*2-5,7-11H,1H3;2*1-6,8-11H;5*7-9,12H,5-6H2,1-4H3;;;;;/q5*-1;;;;;;;;;;.
What are the key properties of pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one?
pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one has a molecular weight of 3205.98 g/mol, XLogP of 35.16, 30 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(6-hydroxy-2,8-dimethylnon-5-en-4-one);pentakis(iridium);1-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;3-(3-methylbenzene-6-id-1-yl)indeno[1,2-c]pyridin-5-one;3-(3-methylbenzene-6-id-1-yl)indeno[2,1-c]pyridin-9-one;1-phenylindeno[2,1-c]pyridin-9-one;3-phenylindeno[2,1-c]pyridin-9-one is sourced from PubChem (CID 158256277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).