[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium

C90H102F2N2O4Si2 — CID 160569451

About [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium

[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium (PubChem CID 160569451) has the molecular formula C90H102F2N2O4Si2 and a molecular weight of 1369.98 g/mol. Its IUPAC name is [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium.

Molecular Properties

• Compound Name: [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium
• PubChem CID: 160569451
• Molecular Formula: C90H102F2N2O4Si2
• Molecular Weight: 1369.98 g/mol
• Exact Mass: 1368.73
• IUPAC Name: [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium
• SMILES: [CH2-][O+](CCCC[O+]([CH2-])c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C)ccc3c3ccc([Si](C)(C)c4ccccc4)cc32)c1O)c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C)ccc3c3ccc([Si](C)(C)c4ccccc4)cc32)c1O
• InChI: InChI=1S/C90H102F2N2O4Si2/c1-57-33-37-69-71-39-35-67(99(17,18)65-29-23-21-24-30-65)53-79(71)93(77(69)43-57)81-49-61(89(11,12)55-87(5,6)7)47-73(83(81)95)75-51-63(91)45-59(3)85(75)97(15)41-27-28-42-98(16)86-60(4)46-64(92)52-76(86)74-48-62(90(13,14)56-88(8,9)10)50-82(84(74)96)94-78-44-58(2)34-38-70(78)72-40-36-68(54-80(72)94)100(19,20)66-31-25-22-26-32-66/h21-26,29-40,43-54,95-96H,15-16,27-28,41-42,55-56H2,1-14,17-20H3
• InChIKey: KTYSDZHBWLXQSZ-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 55.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 19
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1369.98
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium?

The IUPAC name of [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium (CID 160569451) is [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium.

What is the SMILES notation for [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium?

The canonical SMILES for [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium is [CH2-][O+](CCCC[O+]([CH2-])c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C)ccc3c3ccc([Si](C)(C)c4ccccc4)cc32)c1O)c1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C)ccc3c3ccc([Si](C)(C)c4ccccc4)cc32)c1O.

What is the InChIKey of [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium?

The InChIKey is KTYSDZHBWLXQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H102F2N2O4Si2/c1-57-33-37-69-71-39-35-67(99(17,18)65-29-23-21-24-30-65)53-79(71)93(77(69)43-57)81-49-61(89(11,12)55-87(5,6)7)47-73(83(81)95)75-51-63(91)45-59(3)85(75)97(15)41-27-28-42-98(16)86-60(4)46-64(92)52-76(86)74-48-62(90(13,14)56-88(8,9)10)50-82(84(74)96)94-78-44-58(2)34-38-70(78)72-40-36-68(54-80(72)94)100(19,20)66-31-25-22-26-32-66/h21-26,29-40,43-54,95-96H,15-16,27-28,41-42,55-56H2,1-14,17-20H3.

What are the key properties of [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium?

[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium has a molecular weight of 1369.98 g/mol, XLogP of 22.81, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-[4-[[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]-methanidyloxonio]butyl]-methanidyloxidanium is sourced from PubChem (CID 160569451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).