2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

C60H38N4O16Si2 — CID 23405176

About 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione

2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (PubChem CID 23405176) has the molecular formula C60H38N4O16Si2 and a molecular weight of 1127.15 g/mol. Its IUPAC name is 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
• PubChem CID: 23405176
• Molecular Formula: C60H38N4O16Si2
• Molecular Weight: 1127.15 g/mol
• Exact Mass: 1126.18
• IUPAC Name: 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
• SMILES: CO[Si](O)(O)c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(N7C(=O)c8ccc(C(=O)c9ccc%10c(c9)C(=O)N(c9ccc([Si](C)(O)O)cc9)C%10=O)cc8C7=O)cc6)cc4)C5=O)cc3C2=O)cc1
• InChI: InChI=1S/C60H38N4O16Si2/c1-79-82(77,78)42-21-13-38(14-22-42)64-56(70)46-26-6-34(30-50(46)60(64)74)52(66)32-4-24-44-48(28-32)58(72)62(54(44)68)36-9-17-40(18-10-36)80-39-15-7-35(8-16-39)61-53(67)43-23-3-31(27-47(43)57(61)71)51(65)33-5-25-45-49(29-33)59(73)63(55(45)69)37-11-19-41(20-12-37)81(2,75)76/h3-30,75-78H,1-2H3
• InChIKey: OKCFLFVUDSELII-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 283.04 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1127.15
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?

The IUPAC name of 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione (CID 23405176) is 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione.

What is the SMILES notation for 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?

The canonical SMILES for 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is CO[Si](O)(O)c1ccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(c4ccc(Oc6ccc(N7C(=O)c8ccc(C(=O)c9ccc%10c(c9)C(=O)N(c9ccc([Si](C)(O)O)cc9)C%10=O)cc8C7=O)cc6)cc4)C5=O)cc3C2=O)cc1.

What is the InChIKey of 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?

The InChIKey is OKCFLFVUDSELII-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4O16Si2/c1-79-82(77,78)42-21-13-38(14-22-42)64-56(70)46-26-6-34(30-50(46)60(64)74)52(66)32-4-24-44-48(28-32)58(72)62(54(44)68)36-9-17-40(18-10-36)80-39-15-7-35(8-16-39)61-53(67)43-23-3-31(27-47(43)57(61)71)51(65)33-5-25-45-49(29-33)59(73)63(55(45)69)37-11-19-41(20-12-37)81(2,75)76/h3-30,75-78H,1-2H3.

What are the key properties of 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione?

2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione has a molecular weight of 1127.15 g/mol, XLogP of 5.18, 13 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[5-[2-[4-[dihydroxy(methoxy)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-5-[2-[4-[dihydroxy(methyl)silyl]phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 23405176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).