[4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

C70H47N5Si — CID 168842687

About [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane

[4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (PubChem CID 168842687) has the molecular formula C70H47N5Si and a molecular weight of 986.27 g/mol. Its IUPAC name is [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

Molecular Properties

• Compound Name: [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
• PubChem CID: 168842687
• Molecular Formula: C70H47N5Si
• Molecular Weight: 986.27 g/mol
• Exact Mass: 985.36
• IUPAC Name: [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
• SMILES: c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1
• InChI: InChI=1S/C70H47N5Si/c1-5-22-48(23-6-1)50-24-21-31-55(46-50)76(52-27-9-3-10-28-52,53-29-11-4-12-30-53)54-42-40-49(41-43-54)61-47-67(74-62-36-17-13-32-56(62)57-33-14-18-37-63(57)74)72-70(71-61)75-64-38-19-15-34-58(64)59-44-45-66-68(69(59)75)60-35-16-20-39-65(60)73(66)51-25-7-2-8-26-51/h1-47H
• InChIKey: ATBSTUMTDXMPKK-UHFFFAOYSA-N
• XLogP: 14.48
• TPSA: 40.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	986.27
LogP ≤ 5	14.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The IUPAC name of [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane (CID 168842687) is [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane.

What is the SMILES notation for [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The canonical SMILES for [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is c1ccc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccc7c(c8ccccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1.

What is the InChIKey of [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

The InChIKey is ATBSTUMTDXMPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N5Si/c1-5-22-48(23-6-1)50-24-21-31-55(46-50)76(52-27-9-3-10-28-52,53-29-11-4-12-30-53)54-42-40-49(41-43-54)61-47-67(74-62-36-17-13-32-56(62)57-33-14-18-37-63(57)74)72-70(71-61)75-64-38-19-15-34-58(64)59-44-45-66-68(69(59)75)60-35-16-20-39-65(60)73(66)51-25-7-2-8-26-51/h1-47H.

What are the key properties of [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane?

[4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane has a molecular weight of 986.27 g/mol, XLogP of 14.48, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[6-carbazol-9-yl-2-(5-phenylindolo[3,2-c]carbazol-12-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane is sourced from PubChem (CID 168842687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).