[4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

C60H40N2OSi — CID 166588348

About [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane

[4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (PubChem CID 166588348) has the molecular formula C60H40N2OSi and a molecular weight of 833.08 g/mol. Its IUPAC name is [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• PubChem CID: 166588348
• Molecular Formula: C60H40N2OSi
• Molecular Weight: 833.08 g/mol
• Exact Mass: 832.29
• IUPAC Name: [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
• SMILES: c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6cccc(-c7cccc8c7oc7ccccc78)c65)cccc43)cc2)cc1
• InChI: InChI=1S/C60H40N2OSi/c1-4-19-42(20-5-1)64(43-21-6-2-7-22-43,44-23-8-3-9-24-44)45-39-37-41(38-40-45)61-54-33-14-11-27-52(54)58-55(61)34-18-35-56(58)62-53-32-13-10-25-46(53)48-28-16-29-49(59(48)62)51-31-17-30-50-47-26-12-15-36-57(47)63-60(50)51/h1-40H
• InChIKey: QCMGXSLWRWWCHP-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	833.08
LogP ≤ 5	12.82
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 [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The IUPAC name of [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane (CID 166588348) is [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane.

What is the SMILES notation for [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The canonical SMILES for [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6cccc(-c7cccc8c7oc7ccccc78)c65)cccc43)cc2)cc1.

What is the InChIKey of [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

The InChIKey is QCMGXSLWRWWCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2OSi/c1-4-19-42(20-5-1)64(43-21-6-2-7-22-43,44-23-8-3-9-24-44)45-39-37-41(38-40-45)61-54-33-14-11-27-52(54)58-55(61)34-18-35-56(58)62-53-32-13-10-25-46(53)48-28-16-29-49(59(48)62)51-31-17-30-50-47-26-12-15-36-57(47)63-60(50)51/h1-40H.

What are the key properties of [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane?

[4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane has a molecular weight of 833.08 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(1-dibenzofuran-4-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane is sourced from PubChem (CID 166588348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).