triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane

C66H46N2Si — CID 169290688

About triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane

triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (PubChem CID 169290688) has the molecular formula C66H46N2Si and a molecular weight of 895.19 g/mol. Its IUPAC name is triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
• PubChem CID: 169290688
• Molecular Formula: C66H46N2Si
• Molecular Weight: 895.19 g/mol
• Exact Mass: 894.34
• IUPAC Name: triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1
• InChI: InChI=1S/C66H46N2Si/c1-5-20-47(21-6-1)48-36-40-52(41-37-48)67-63-34-17-14-31-58(63)60-45-49(38-42-65(60)67)50-39-43-66-61(46-50)59-32-15-18-35-64(59)68(66)62-33-16-13-30-57(62)51-22-19-29-56(44-51)69(53-23-7-2-8-24-53,54-25-9-3-10-26-54)55-27-11-4-12-28-55/h1-46H
• InChIKey: OAFMAPQYCRNGRK-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.19
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

The IUPAC name of triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane (CID 169290688) is triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane.

What is the SMILES notation for triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

The canonical SMILES for triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)ccc43)cc2)cc1.

What is the InChIKey of triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

The InChIKey is OAFMAPQYCRNGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H46N2Si/c1-5-20-47(21-6-1)48-36-40-52(41-37-48)67-63-34-17-14-31-58(63)60-45-49(38-42-65(60)67)50-39-43-66-61(46-50)59-32-15-18-35-64(59)68(66)62-33-16-13-30-57(62)51-22-19-29-56(44-51)69(53-23-7-2-8-24-53,54-25-9-3-10-26-54)55-27-11-4-12-28-55/h1-46H.

What are the key properties of triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane?

triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane has a molecular weight of 895.19 g/mol, XLogP of 14.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[3-[2-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]silane is sourced from PubChem (CID 169290688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).