triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane

C76H54N4Si2 — CID 168842556

About triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane

triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane (PubChem CID 168842556) has the molecular formula C76H54N4Si2 and a molecular weight of 1079.47 g/mol. Its IUPAC name is triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane.

Molecular Properties

• Compound Name: triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane
• PubChem CID: 168842556
• Molecular Formula: C76H54N4Si2
• Molecular Weight: 1079.47 g/mol
• Exact Mass: 1078.39
• IUPAC Name: triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane
• SMILES: c1ccc(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c43)n2)cc1
• InChI: InChI=1S/C76H54N4Si2/c1-8-27-56(28-9-1)76-77-69(55-47-49-64(50-48-55)81(58-30-10-2-11-31-58,59-32-12-3-13-33-59)60-34-14-4-15-35-60)54-73(78-76)80-70-45-24-22-43-66(70)67-51-52-72-74(75(67)80)68-44-23-25-46-71(68)79(72)57-29-26-42-65(53-57)82(61-36-16-5-17-37-61,62-38-18-6-19-39-62)63-40-20-7-21-41-63/h1-54H
• InChIKey: XHMUEZQTALQISV-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.47
LogP ≤ 5	12.76
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 triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane?

The IUPAC name of triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane (CID 168842556) is triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane.

What is the SMILES notation for triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane?

The canonical SMILES for triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane is c1ccc(-c2nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)cc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c43)n2)cc1.

What is the InChIKey of triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane?

The InChIKey is XHMUEZQTALQISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54N4Si2/c1-8-27-56(28-9-1)76-77-69(55-47-49-64(50-48-55)81(58-30-10-2-11-31-58,59-32-12-3-13-33-59)60-34-14-4-15-35-60)54-73(78-76)80-70-45-24-22-43-66(70)67-51-52-72-74(75(67)80)68-44-23-25-46-71(68)79(72)57-29-26-42-65(53-57)82(61-36-16-5-17-37-61,62-38-18-6-19-39-62)63-40-20-7-21-41-63/h1-54H.

What are the key properties of triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane?

triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane has a molecular weight of 1079.47 g/mol, XLogP of 12.76, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[4-[2-phenyl-6-[5-(3-triphenylsilylphenyl)indolo[3,2-c]carbazol-12-yl]pyrimidin-4-yl]phenyl]silane is sourced from PubChem (CID 168842556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).