[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

C78H53N3Si — CID 90773884

About [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane

[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (PubChem CID 90773884) has the molecular formula C78H53N3Si and a molecular weight of 1060.39 g/mol. Its IUPAC name is [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

Molecular Properties

• Compound Name: [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
• PubChem CID: 90773884
• Molecular Formula: C78H53N3Si
• Molecular Weight: 1060.39 g/mol
• Exact Mass: 1059.40
• IUPAC Name: [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c4)ccc32)cc1
• InChI: InChI=1S/C78H53N3Si/c1-6-24-60(25-7-1)79-73-38-18-16-36-67(73)69-50-56(40-44-75(69)79)58-42-46-77-71(52-58)72-53-59(57-41-45-76-70(51-57)68-37-17-19-39-74(68)80(76)61-26-8-2-9-27-61)43-47-78(72)81(77)62-28-20-22-54(48-62)55-23-21-35-66(49-55)82(63-29-10-3-11-30-63,64-31-12-4-13-32-64)65-33-14-5-15-34-65/h1-53H
• InChIKey: PAERBMUURNKGGB-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1060.39
LogP ≤ 5	17.36
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-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The IUPAC name of [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane (CID 90773884) is [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane.

What is the SMILES notation for [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The canonical SMILES for [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4cccc(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c5)c4)ccc32)cc1.

What is the InChIKey of [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

The InChIKey is PAERBMUURNKGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H53N3Si/c1-6-24-60(25-7-1)79-73-38-18-16-36-67(73)69-50-56(40-44-75(69)79)58-42-46-77-71(52-58)72-53-59(57-41-45-76-70(51-57)68-37-17-19-39-74(68)80(76)61-26-8-2-9-27-61)43-47-78(72)81(77)62-28-20-22-54(48-62)55-23-21-35-66(49-55)82(63-29-10-3-11-30-63,64-31-12-4-13-32-64)65-33-14-5-15-34-65/h1-53H.

What are the key properties of [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane?

[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane has a molecular weight of 1060.39 g/mol, XLogP of 17.36, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane is sourced from PubChem (CID 90773884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).