[3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

C78H56N2Si2 — CID 172534687

About [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

[3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 172534687) has the molecular formula C78H56N2Si2 and a molecular weight of 1077.49 g/mol. Its IUPAC name is [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 172534687
• Molecular Formula: C78H56N2Si2
• Molecular Weight: 1077.49 g/mol
• Exact Mass: 1076.40
• IUPAC Name: [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6cccc(-c7ccccc7)c6)c6c(c7ccccc7n6-c6ccccc6)c54)c3)c2)cc1
• InChI: InChI=1S/C78H56N2Si2/c1-8-29-57(30-9-1)59-33-26-46-67(53-59)81(63-38-14-4-15-39-63,64-40-16-5-17-41-64)69-48-28-37-62(55-69)80-73-51-24-22-49-70(73)72-56-75(78-76(77(72)80)71-50-23-25-52-74(71)79(78)61-35-12-3-13-36-61)82(65-42-18-6-19-43-65,66-44-20-7-21-45-66)68-47-27-34-60(54-68)58-31-10-2-11-32-58/h1-56H
• InChIKey: NQCDMWVSAGVRMI-UHFFFAOYSA-N
• XLogP: 13.97
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.49
LogP ≤ 5	13.97
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 [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 172534687) is [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6cccc(-c7ccccc7)c6)c6c(c7ccccc7n6-c6ccccc6)c54)c3)c2)cc1.

What is the InChIKey of [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The InChIKey is NQCDMWVSAGVRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H56N2Si2/c1-8-29-57(30-9-1)59-33-26-46-67(53-59)81(63-38-14-4-15-39-63,64-40-16-5-17-41-64)69-48-28-37-62(55-69)80-73-51-24-22-49-70(73)72-56-75(78-76(77(72)80)71-50-23-25-52-74(71)79(78)61-35-12-3-13-36-61)82(65-42-18-6-19-43-65,66-44-20-7-21-45-66)68-47-27-34-60(54-68)58-31-10-2-11-32-58/h1-56H.

What are the key properties of [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

[3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 1077.49 g/mol, XLogP of 13.97, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[6-[diphenyl-(3-phenylphenyl)silyl]-5-phenylindolo[3,2-c]carbazol-12-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 172534687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).