[5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane

C57H42N2OSi — CID 172534562

About [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane

[5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane (PubChem CID 172534562) has the molecular formula C57H42N2OSi and a molecular weight of 799.06 g/mol. Its IUPAC name is [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane.

Molecular Properties

• Compound Name: [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane
• PubChem CID: 172534562
• Molecular Formula: C57H42N2OSi
• Molecular Weight: 799.06 g/mol
• Exact Mass: 798.31
• IUPAC Name: [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane
• SMILES: CC1(C)c2ccccc2Oc2ccc(-n3c4ccc5c6ccccc6n(-c6ccccc6)c5c4c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c43)cc21
• InChI: InChI=1S/C57H42N2OSi/c1-57(2)47-30-16-18-32-51(47)60-52-37-34-40(38-48(52)57)59-50-36-35-45-44-28-15-17-31-49(44)58(39-20-7-3-8-21-39)56(45)54(50)46-29-19-33-53(55(46)59)61(41-22-9-4-10-23-41,42-24-11-5-12-25-42)43-26-13-6-14-27-43/h3-38H,1-2H3
• InChIKey: HNKANCPAFOLOKM-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 19.09 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.06
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane?

The IUPAC name of [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane (CID 172534562) is [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane.

What is the SMILES notation for [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane?

The canonical SMILES for [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane is CC1(C)c2ccccc2Oc2ccc(-n3c4ccc5c6ccccc6n(-c6ccccc6)c5c4c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c43)cc21.

What is the InChIKey of [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane?

The InChIKey is HNKANCPAFOLOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2OSi/c1-57(2)47-30-16-18-32-51(47)60-52-37-34-40(38-48(52)57)59-50-36-35-45-44-28-15-17-31-49(44)58(39-20-7-3-8-21-39)56(45)54(50)46-29-19-33-53(55(46)59)61(41-22-9-4-10-23-41,42-24-11-5-12-25-42)43-26-13-6-14-27-43/h3-38H,1-2H3.

What are the key properties of [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane?

[5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane has a molecular weight of 799.06 g/mol, XLogP of 11.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(9,9-dimethylxanthen-2-yl)-12-phenylindolo[2,3-g]carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 172534562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).