3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole

C148H120Ir4N16 — CID 159834504

About 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole

3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole (PubChem CID 159834504) has the molecular formula C148H120Ir4N16 and a molecular weight of 2891.57 g/mol. Its IUPAC name is 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole.

Molecular Properties

• Compound Name: 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole
• PubChem CID: 159834504
• Molecular Formula: C148H120Ir4N16
• Molecular Weight: 2891.57 g/mol
• Exact Mass: 2892.84
• IUPAC Name: 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole
• SMILES: C.C.C.C.C1=CC2=CC=CC3C4=C(C=N/C4=C(/c4ccccc4)c4[nH]cc5c4C4C=CC=C6C=CC=C5C64)C(=C1)C23.C1=NC(=C(c2ccccc2)c2[nH]cc3cc4ccccc4cc23)c2cc3ccccc3cc21.C1=NC(=C(c2ccccc2)c2[nH]cc3ccccc23)c2ccccc21.C1=Nc2c(-c3ccc[nH]3)c3cccc4cccc(c2=C1)c43.[Ir].[Ir].[Ir].[Ir].c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C35H24N2.C31H20N2.C23H16N2.C19H12N2.4C9H8N2.4CH4.4Ir/c1-2-8-22(9-3-1)31(34-32-25-16-6-12-20-10-4-14-23(29(20)25)27(32)18-36-34)35-33-26-17-7-13-21-11-5-15-24(30(21)26)28(33)19-37-35;1-2-8-20(9-3-1)29(30-27-16-23-12-6-4-10-21(23)14-25(27)18-32-30)31-28-17-24-13-7-5-11-22(24)15-26(28)19-33-31;1-2-8-16(9-3-1)21(22-19-12-6-4-10-17(19)14-24-22)23-20-13-7-5-11-18(20)15-25-23;1-4-12-5-2-7-15-17(12)13(6-1)14-9-11-21-19(14)18(15)16-8-3-10-20-16;4*1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;;;;/h1-19,25-26,29-30,36H;1-19,32H;1-15,24H;1-11,20H;4*1-8H;4*1H4;;;;/b35-31-
• InChIKey: VMBDZFGEQZYODR-FCTCBFBMSA-N
• XLogP: 35.12
• TPSA: 183.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2891.57
LogP ≤ 5	35.12
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole?

The IUPAC name of 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole (CID 159834504) is 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole.

What is the SMILES notation for 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole?

The canonical SMILES for 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole is C.C.C.C.C1=CC2=CC=CC3C4=C(C=N/C4=C(/c4ccccc4)c4[nH]cc5c4C4C=CC=C6C=CC=C5C64)C(=C1)C23.C1=NC(=C(c2ccccc2)c2[nH]cc3cc4ccccc4cc23)c2cc3ccccc3cc21.C1=NC(=C(c2ccccc2)c2[nH]cc3ccccc23)c2ccccc21.C1=Nc2c(-c3ccc[nH]3)c3cccc4cccc(c2=C1)c43.[Ir].[Ir].[Ir].[Ir].c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1.c1ccc(-n2cccn2)cc1.

What is the InChIKey of 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole?

The InChIKey is VMBDZFGEQZYODR-FCTCBFBMSA-N. The full InChI is InChI=1S/C35H24N2.C31H20N2.C23H16N2.C19H12N2.4C9H8N2.4CH4.4Ir/c1-2-8-22(9-3-1)31(34-32-25-16-6-12-20-10-4-14-23(29(20)25)27(32)18-36-34)35-33-26-17-7-13-21-11-5-15-24(30(21)26)28(33)19-37-35;1-2-8-20(9-3-1)29(30-27-16-23-12-6-4-10-21(23)14-25(27)18-32-30)31-28-17-24-13-7-5-11-22(24)15-26(28)19-33-31;1-2-8-16(9-3-1)21(22-19-12-6-4-10-17(19)14-24-22)23-20-13-7-5-11-18(20)15-25-23;1-4-12-5-2-7-15-17(12)13(6-1)14-9-11-21-19(14)18(15)16-8-3-10-20-16;4*1-2-5-9(6-3-1)11-8-4-7-10-11;;;;;;;;/h1-19,25-26,29-30,36H;1-19,32H;1-15,24H;1-11,20H;4*1-8H;4*1H4;;;;/b35-31-;;;;;;;;;;;;;;;.

What are the key properties of 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole?

3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole has a molecular weight of 2891.57 g/mol, XLogP of 35.12, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2H-benzo[f]isoindol-3-yl(phenyl)methylidene]benzo[f]isoindole;(7Z)-7-[8,9c-dihydro-6aH-acenaphthyleno[1,2-c]pyrrol-7-yl(phenyl)methylidene]-6a,9c-dihydroacenaphthyleno[1,2-c]pyrrole;tetrakis(iridium);1-[2H-isoindol-1-yl(phenyl)methylidene]isoindole;methane;tetrakis(1-phenylpyrazole);7-(1H-pyrrol-2-yl)phenaleno[2,1-b]pyrrole is sourced from PubChem (CID 159834504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).