2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol

C72H82F2N2O4Si2 — CID 153485749

About 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol

2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol (PubChem CID 153485749) has the molecular formula C72H82F2N2O4Si2 and a molecular weight of 1133.63 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol
• PubChem CID: 153485749
• Molecular Formula: C72H82F2N2O4Si2
• Molecular Weight: 1133.63 g/mol
• Exact Mass: 1132.58
• IUPAC Name: 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol
• SMILES: CCCCCCCC[Si](C)(C)c1cc(-c2cc(F)ccc2OCCCCOc2ccc(F)cc2-c2cc([Si](C)(C)CCCCCCCC)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C72H82F2N2O4Si2/c1-7-9-11-13-15-27-43-81(3,4)53-47-61(71(77)67(49-53)75-63-33-21-17-29-55(63)56-30-18-22-34-64(56)75)59-45-51(73)37-39-69(59)79-41-25-26-42-80-70-40-38-52(74)46-60(70)62-48-54(82(5,6)44-28-16-14-12-10-8-2)50-68(72(62)78)76-65-35-23-19-31-57(65)58-32-20-24-36-66(58)76/h17-24,29-40,45-50,77-78H,7-16,25-28,41-44H2,1-6H3
• InChIKey: QGJQRWBDYJDITB-UHFFFAOYSA-N
• XLogP: 19.69
• TPSA: 68.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 27
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.63
LogP ≤ 5	19.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol?

The IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol (CID 153485749) is 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol.

What is the SMILES notation for 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol?

The canonical SMILES for 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol is CCCCCCCC[Si](C)(C)c1cc(-c2cc(F)ccc2OCCCCOc2ccc(F)cc2-c2cc([Si](C)(C)CCCCCCCC)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol?

The InChIKey is QGJQRWBDYJDITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H82F2N2O4Si2/c1-7-9-11-13-15-27-43-81(3,4)53-47-61(71(77)67(49-53)75-63-33-21-17-29-55(63)56-30-18-22-34-64(56)75)59-45-51(73)37-39-69(59)79-41-25-26-42-80-70-40-38-52(74)46-60(70)62-48-54(82(5,6)44-28-16-14-12-10-8-2)50-68(72(62)78)76-65-35-23-19-31-57(65)58-32-20-24-36-66(58)76/h17-24,29-40,45-50,77-78H,7-16,25-28,41-44H2,1-6H3.

What are the key properties of 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol?

2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol has a molecular weight of 1133.63 g/mol, XLogP of 19.69, 27 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol is sourced from PubChem (CID 153485749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).