[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane

C106H75N3Si2 — CID 169031868

About [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane

[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane (PubChem CID 169031868) has the molecular formula C106H75N3Si2 and a molecular weight of 1446.96 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane.

Molecular Properties

• Compound Name: [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
• PubChem CID: 169031868
• Molecular Formula: C106H75N3Si2
• Molecular Weight: 1446.96 g/mol
• Exact Mass: 1445.55
• IUPAC Name: [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane
• SMILES: c1ccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1
• InChI: InChI=1S/C106H75N3Si2/c1-8-27-76(28-9-1)83-47-59-92(60-48-83)110(93-61-49-84(50-62-93)77-29-10-2-11-30-77,94-63-51-85(52-64-94)78-31-12-3-13-32-78)98-72-91(106-107-102(90-42-26-41-89(71-90)82-39-20-7-21-40-82)75-105(108-106)109-103-45-24-22-43-100(103)101-44-23-25-46-104(101)109)73-99(74-98)111(95-65-53-86(54-66-95)79-33-14-4-15-34-79,96-67-55-87(56-68-96)80-35-16-5-17-36-80)97-69-57-88(58-70-97)81-37-18-6-19-38-81/h1-75H
• InChIKey: QCOMJCIAXNAKHE-UHFFFAOYSA-N
• XLogP: 21.33
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 18
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1446.96
LogP ≤ 5	21.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?

The IUPAC name of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane (CID 169031868) is [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane.

What is the SMILES notation for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?

The canonical SMILES for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane is c1ccc(-c2ccc([Si](c3ccc(-c4ccccc4)cc3)(c3ccc(-c4ccccc4)cc3)c3cc(-c4nc(-c5cccc(-c6ccccc6)c5)cc(-n5c6ccccc6c6ccccc65)n4)cc([Si](c4ccc(-c5ccccc5)cc4)(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccccc5)cc4)c3)cc2)cc1.

What is the InChIKey of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?

The InChIKey is QCOMJCIAXNAKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C106H75N3Si2/c1-8-27-76(28-9-1)83-47-59-92(60-48-83)110(93-61-49-84(50-62-93)77-29-10-2-11-30-77,94-63-51-85(52-64-94)78-31-12-3-13-32-78)98-72-91(106-107-102(90-42-26-41-89(71-90)82-39-20-7-21-40-82)75-105(108-106)109-103-45-24-22-43-100(103)101-44-23-25-46-104(101)109)73-99(74-98)111(95-65-53-86(54-66-95)79-33-14-4-15-34-79,96-67-55-87(56-68-96)80-35-16-5-17-36-80)97-69-57-88(58-70-97)81-37-18-6-19-38-81/h1-75H.

What are the key properties of [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane?

[3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane has a molecular weight of 1446.96 g/mol, XLogP of 21.33, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-carbazol-9-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-5-tris(4-phenylphenyl)silylphenyl]-tris(4-phenylphenyl)silane is sourced from PubChem (CID 169031868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).