(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane

C57H47NO3Si2 — CID 59469948

About (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane

(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane (PubChem CID 59469948) has the molecular formula C57H47NO3Si2 and a molecular weight of 850.18 g/mol. Its IUPAC name is (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane.

Molecular Properties

• Compound Name: (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
• PubChem CID: 59469948
• Molecular Formula: C57H47NO3Si2
• Molecular Weight: 850.18 g/mol
• Exact Mass: 849.31
• IUPAC Name: (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
• SMILES: COc1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)ccc32)cc1
• InChI: InChI=1S/C57H47NO3Si2/c1-59-43-26-24-42(25-27-43)58-56-38-36-52(62(46-16-8-4-9-17-46,47-18-10-5-11-19-47)50-32-28-44(60-2)29-33-50)40-54(56)55-41-53(37-39-57(55)58)63(48-20-12-6-13-21-48,49-22-14-7-15-23-49)51-34-30-45(61-3)31-35-51/h4-41H,1-3H3
• InChIKey: WOISWRPAQUBJII-UHFFFAOYSA-N
• XLogP: 7.56
• TPSA: 32.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	850.18
LogP ≤ 5	7.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane?

The IUPAC name of (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane (CID 59469948) is (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane.

What is the SMILES notation for (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane?

The canonical SMILES for (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane is COc1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)cc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc(OC)cc4)ccc32)cc1.

What is the InChIKey of (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane?

The InChIKey is WOISWRPAQUBJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47NO3Si2/c1-59-43-26-24-42(25-27-43)58-56-38-36-52(62(46-16-8-4-9-17-46,47-18-10-5-11-19-47)50-32-28-44(60-2)29-33-50)40-54(56)55-41-53(37-39-57(55)58)63(48-20-12-6-13-21-48,49-22-14-7-15-23-49)51-34-30-45(61-3)31-35-51/h4-41H,1-3H3.

What are the key properties of (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane?

(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane has a molecular weight of 850.18 g/mol, XLogP of 7.56, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane is sourced from PubChem (CID 59469948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).