bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)

C182H138Ir4N14O8-4 — CID 158110735

IUPACbis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(C(=O)O)c1.Cc1ccnc(C(=O)O)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/2C46H32N3.2C33H22N3.2C7H7NO2.2C5H8O2.4Ir/c2*1-6-20-34(21-7-1)43-45(44(35-22-8-2-9-23-35)49(47-43)38-28-14-5-15-29-38)48-41-32-18-16-30-39(41)46(36-24-10-3-11-25-36,37-26-12-4-13-27-37)40-31-17-19-33-42(40)48;2*1-4-14-24(15-5-1)31-33(35-29-22-12-10-20-27(29)28-21-11-13-23-30(28)35)32(25-16-6-2-7-17-25)36(34-31)26-18-8-3-9-19-26;2*1-5-2-3-8-6(4-5)7(9)10;2*1-4(6)3-5(2)7;;;;/h2*1-20,22-33H;2*1-14,16-23H;2*2-4H,1H3,(H,9,10);2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyXWLRZTYMJBTZRV-UHFFFAOYSA-N
MW3418.06 g/mol
LogP42.79
Rot. Bonds24

About bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)

bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid) (PubChem CID 158110735) has the molecular formula C182H138Ir4N14O8-4 and a molecular weight of 3418.06 g/mol. Its IUPAC name is bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid).

Molecular Properties

Compound Namebis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)
PubChem CID158110735
Molecular FormulaC182H138Ir4N14O8-4
Molecular Weight3418.06 g/mol
Exact Mass3418.94
IUPAC Namebis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(C(=O)O)c1.Cc1ccnc(C(=O)O)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/2C46H32N3.2C33H22N3.2C7H7NO2.2C5H8O2.4Ir/c2*1-6-20-34(21-7-1)43-45(44(35-22-8-2-9-23-35)49(47-43)38-28-14-5-15-29-38)48-41-32-18-16-30-39(41)46(36-24-10-3-11-25-36,37-26-12-4-13-27-37)40-31-17-19-33-42(40)48;2*1-4-14-24(15-5-1)31-33(35-29-22-12-10-20-27(29)28-21-11-13-23-30(28)35)32(25-16-6-2-7-17-25)36(34-31)26-18-8-3-9-19-26;2*1-5-2-3-8-6(4-5)7(9)10;2*1-4(6)3-5(2)7;;;;/h2*1-20,22-33H;2*1-14,16-23H;2*2-4H,1H3,(H,9,10);2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyXWLRZTYMJBTZRV-UHFFFAOYSA-N
XLogP42.79
TPSA262.60 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003418.06
LogP ≤ 542.79
H-Bond Donors ≤ 54
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 bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)?
The IUPAC name of bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid) (CID 158110735) is bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid).
What is the SMILES notation for bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)?
The canonical SMILES for bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccnc(C(=O)O)c1.Cc1ccnc(C(=O)O)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.[c-]1ccccc1-c1nn(-c2ccccc2)c(-c2ccccc2)c1N1c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)?
The InChIKey is XWLRZTYMJBTZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H32N3.2C33H22N3.2C7H7NO2.2C5H8O2.4Ir/c2*1-6-20-34(21-7-1)43-45(44(35-22-8-2-9-23-35)49(47-43)38-28-14-5-15-29-38)48-41-32-18-16-30-39(41)46(36-24-10-3-11-25-36,37-26-12-4-13-27-37)40-31-17-19-33-42(40)48;2*1-4-14-24(15-5-1)31-33(35-29-22-12-10-20-27(29)28-21-11-13-23-30(28)35)32(25-16-6-2-7-17-25)36(34-31)26-18-8-3-9-19-26;2*1-5-2-3-8-6(4-5)7(9)10;2*1-4(6)3-5(2)7;;;;/h2*1-20,22-33H;2*1-14,16-23H;2*2-4H,1H3,(H,9,10);2*3,6H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid)?
bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid) has a molecular weight of 3418.06 g/mol, XLogP of 42.79, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-(1,5-diphenyl-3-phenylpyrazol-4-yl)carbazole);bis(10-(1,5-diphenyl-3-phenylpyrazol-4-yl)-9,9-diphenylacridine);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(4-methylpyridine-2-carboxylic acid) is sourced from PubChem (CID 158110735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).