[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium

C63H59N2O2Si2+ — CID 144918830

About [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium

[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium (PubChem CID 144918830) has the molecular formula C63H59N2O2Si2+ and a molecular weight of 932.35 g/mol. Its IUPAC name is [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium.

Molecular Properties

• Compound Name: [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium
• PubChem CID: 144918830
• Molecular Formula: C63H59N2O2Si2+
• Molecular Weight: 932.35 g/mol
• Exact Mass: 931.41
• IUPAC Name: [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium
• SMILES: CC(C)c1cc(N(c2ccc([SiH2+](C)C)cc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34
• InChI: InChI=1S/C63H59N2O2Si2/c1-38(2)52-36-56(64(40-24-28-42(29-25-40)68(5)6)54-20-14-18-48-44-16-10-12-22-58(44)66-62(48)54)50-34-32-47-53(39(3)4)37-57(51-35-33-46(52)60(50)61(47)51)65(41-26-30-43(31-27-41)69(7,8)9)55-21-15-19-49-45-17-11-13-23-59(45)67-63(49)55/h10-39H,68H2,1-9H3/q+1
• InChIKey: LNJUGMZPFICIOV-UHFFFAOYSA-N
• XLogP: 17.54
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.35
LogP ≤ 5	17.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium?

The IUPAC name of [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium (CID 144918830) is [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium.

What is the SMILES notation for [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium?

The canonical SMILES for [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium is CC(C)c1cc(N(c2ccc([SiH2+](C)C)cc2)c2cccc3c2oc2ccccc23)c2ccc3c(C(C)C)cc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4ccccc45)c4ccc1c2c34.

What is the InChIKey of [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium?

The InChIKey is LNJUGMZPFICIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H59N2O2Si2/c1-38(2)52-36-56(64(40-24-28-42(29-25-40)68(5)6)54-20-14-18-48-44-16-10-12-22-58(44)66-62(48)54)50-34-32-47-53(39(3)4)37-57(51-35-33-46(52)60(50)61(47)51)65(41-26-30-43(31-27-41)69(7,8)9)55-21-15-19-49-45-17-11-13-23-59(45)67-63(49)55/h10-39H,68H2,1-9H3/q+1.

What are the key properties of [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium?

[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium has a molecular weight of 932.35 g/mol, XLogP of 17.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)-3,8-di(propan-2-yl)pyren-1-yl]amino]phenyl]-dimethylsilanylium is sourced from PubChem (CID 144918830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).