2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)

C146H100N4O16 — CID 158575071

About 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)

2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene) (PubChem CID 158575071) has the molecular formula C146H100N4O16 and a molecular weight of 2166.42 g/mol. Its IUPAC name is 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene).

Molecular Properties

• Compound Name: 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)
• PubChem CID: 158575071
• Molecular Formula: C146H100N4O16
• Molecular Weight: 2166.42 g/mol
• Exact Mass: 2164.71
• IUPAC Name: 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)
• SMILES: C#CCOc1ccc2ccccc2c1.C#CCOc1ccc2ccccc2c1.C#CCOc1ccc2ccccc2c1.C#CCOc1ccc2ccccc2c1.CN1C(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5)c5ccccc5-c5ccccc54)cc3)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4cc(C5(c6ccc7cc(Oc8ccc9c(c8)C(=O)N(C)C9=O)ccc7c6)c6ccccc6-c6ccccc65)ccc4c3)cc2C1=O
• InChI: InChI=1S/C51H32N2O6.C43H28N2O6.4C13H10O/c1-52-47(54)41-21-19-37(27-43(41)49(52)56)58-35-17-13-29-23-33(15-11-31(29)25-35)51(45-9-5-3-7-39(45)40-8-4-6-10-46(40)51)34-16-12-32-26-36(18-14-30(32)24-34)59-38-20-22-42-44(28-38)50(57)53(2)48(42)55;1-44-39(46)33-21-19-29(23-35(33)41(44)48)50-27-15-11-25(12-16-27)43(37-9-5-3-7-31(37)32-8-4-6-10-38(32)43)26-13-17-28(18-14-26)51-30-20-22-34-36(24-30)42(49)45(2)40(34)47;4*1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h3-28H,1-2H3;3-24H,1-2H3;4*1,3-8,10H,9H2
• InChIKey: HSOFBPXWIZQSHZ-UHFFFAOYSA-N
• XLogP: 29.89
• TPSA: 223.36 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2166.42
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)?

The IUPAC name of 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene) (CID 158575071) is 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene).

What is the SMILES notation for 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)?

The canonical SMILES for 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene) is C#CCOc1ccc2ccccc2c1.C#CCOc1ccc2ccccc2c1.C#CCOc1ccc2ccccc2c1.C#CCOc1ccc2ccccc2c1.CN1C(=O)c2ccc(Oc3ccc(C4(c5ccc(Oc6ccc7c(c6)C(=O)N(C)C7=O)cc5)c5ccccc5-c5ccccc54)cc3)cc2C1=O.CN1C(=O)c2ccc(Oc3ccc4cc(C5(c6ccc7cc(Oc8ccc9c(c8)C(=O)N(C)C9=O)ccc7c6)c6ccccc6-c6ccccc65)ccc4c3)cc2C1=O.

What is the InChIKey of 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)?

The InChIKey is HSOFBPXWIZQSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O6.C43H28N2O6.4C13H10O/c1-52-47(54)41-21-19-37(27-43(41)49(52)56)58-35-17-13-29-23-33(15-11-31(29)25-35)51(45-9-5-3-7-39(45)40-8-4-6-10-46(40)51)34-16-12-32-26-36(18-14-30(32)24-34)59-38-20-22-42-44(28-38)50(57)53(2)48(42)55;1-44-39(46)33-21-19-29(23-35(33)41(44)48)50-27-15-11-25(12-16-27)43(37-9-5-3-7-31(37)32-8-4-6-10-38(32)43)26-13-17-28(18-14-26)51-30-20-22-34-36(24-30)42(49)45(2)40(34)47;4*1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h3-28H,1-2H3;3-24H,1-2H3;4*1,3-8,10H,9H2.

What are the key properties of 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene)?

2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene) has a molecular weight of 2166.42 g/mol, XLogP of 29.89, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[6-[9-[6-(2-methyl-1,3-dioxoisoindol-5-yl)oxynaphthalen-2-yl]fluoren-9-yl]naphthalen-2-yl]oxyisoindole-1,3-dione;2-methyl-5-[4-[9-[4-(2-methyl-1,3-dioxoisoindol-5-yl)oxyphenyl]fluoren-9-yl]phenoxy]isoindole-1,3-dione;tetrakis(2-prop-2-ynoxynaphthalene) is sourced from PubChem (CID 158575071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).