[4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane

C52H39NSi — CID 123602707

About [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane

[4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 123602707) has the molecular formula C52H39NSi and a molecular weight of 705.98 g/mol. Its IUPAC name is [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane.

Molecular Properties

• Compound Name: [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane
• PubChem CID: 123602707
• Molecular Formula: C52H39NSi
• Molecular Weight: 705.98 g/mol
• Exact Mass: 705.29
• IUPAC Name: [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane
• SMILES: C[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1
• InChI: InChI=1S/C52H39NSi/c1-54(2,42-31-33-50-47(35-42)43-22-14-15-25-49(43)53(50)40-20-10-5-11-21-40)41-29-26-38(27-30-41)52-45-24-13-12-23-44(45)51(37-18-8-4-9-19-37)46-32-28-39(34-48(46)52)36-16-6-3-7-17-36/h3-35H,1-2H3
• InChIKey: AWBJZUYXGOJVLU-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.98
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane?

The IUPAC name of [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane (CID 123602707) is [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane.

What is the SMILES notation for [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane?

The canonical SMILES for [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane is C[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccc(-c4ccccc4)cc23)cc1)c1ccc2c(c1)c1ccccc1n2-c1ccccc1.

What is the InChIKey of [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane?

The InChIKey is AWBJZUYXGOJVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39NSi/c1-54(2,42-31-33-50-47(35-42)43-22-14-15-25-49(43)53(50)40-20-10-5-11-21-40)41-29-26-38(27-30-41)52-45-24-13-12-23-44(45)51(37-18-8-4-9-19-37)46-32-28-39(34-48(46)52)36-16-6-3-7-17-36/h3-35H,1-2H3.

What are the key properties of [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane?

[4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane has a molecular weight of 705.98 g/mol, XLogP of 12.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane is sourced from PubChem (CID 123602707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).