triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane

C47H34N2Si — CID 144577457

About triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane

triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane (PubChem CID 144577457) has the molecular formula C47H34N2Si and a molecular weight of 654.89 g/mol. Its IUPAC name is triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane.

Molecular Properties

• Compound Name: triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane
• PubChem CID: 144577457
• Molecular Formula: C47H34N2Si
• Molecular Weight: 654.89 g/mol
• Exact Mass: 654.25
• IUPAC Name: triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccn5)c4)ccc32)cc1
• InChI: InChI=1S/C47H34N2Si/c1-5-18-38(19-6-1)49-46-27-14-13-26-43(46)44-33-36(28-29-47(44)49)35-16-15-17-37(32-35)45-34-42(30-31-48-45)50(39-20-7-2-8-21-39,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-34H
• InChIKey: DOTKFNLRCKTKMQ-UHFFFAOYSA-N
• XLogP: 8.89
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.89
LogP ≤ 5	8.89
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 triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane?

The IUPAC name of triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane (CID 144577457) is triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane.

What is the SMILES notation for triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane?

The canonical SMILES for triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccn5)c4)ccc32)cc1.

What is the InChIKey of triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane?

The InChIKey is DOTKFNLRCKTKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N2Si/c1-5-18-38(19-6-1)49-46-27-14-13-26-43(46)44-33-36(28-29-47(44)49)35-16-15-17-37(32-35)45-34-42(30-31-48-45)50(39-20-7-2-8-21-39,40-22-9-3-10-23-40)41-24-11-4-12-25-41/h1-34H.

What are the key properties of triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane?

triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane has a molecular weight of 654.89 g/mol, XLogP of 8.89, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for triphenyl-[2-[3-(9-phenylcarbazol-3-yl)phenyl]-4-pyridinyl]silane is sourced from PubChem (CID 144577457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).