[11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane

C54H38N3PSi — CID 169076275

About [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane

[11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane (PubChem CID 169076275) has the molecular formula C54H38N3PSi and a molecular weight of 787.98 g/mol. Its IUPAC name is [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane.

Molecular Properties

• Compound Name: [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane
• PubChem CID: 169076275
• Molecular Formula: C54H38N3PSi
• Molecular Weight: 787.98 g/mol
• Exact Mass: 787.26
• IUPAC Name: [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane
• SMILES: Pn1c2ccccc2c2ccc3c4ccccc4n(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3c21
• InChI: InChI=1S/C54H38N3PSi/c58-57-52-26-14-10-22-46(52)48-36-35-47-45-21-9-13-25-51(45)56(53(47)54(48)57)38-29-33-42(34-30-38)59(39-15-3-1-4-16-39,40-17-5-2-6-18-40)41-31-27-37(28-32-41)55-49-23-11-7-19-43(49)44-20-8-12-24-50(44)55/h1-36H,58H2
• InChIKey: MHRRXDAPHVLWIC-UHFFFAOYSA-N
• XLogP: 11.00
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.98
LogP ≤ 5	11.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane?

The IUPAC name of [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane (CID 169076275) is [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane.

What is the SMILES notation for [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane?

The canonical SMILES for [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane is Pn1c2ccccc2c2ccc3c4ccccc4n(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c3c21.

What is the InChIKey of [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane?

The InChIKey is MHRRXDAPHVLWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N3PSi/c58-57-52-26-14-10-22-46(52)48-36-35-47-45-21-9-13-25-51(45)56(53(47)54(48)57)38-29-33-42(34-30-38)59(39-15-3-1-4-16-39,40-17-5-2-6-18-40)41-31-27-37(28-32-41)55-49-23-11-7-19-43(49)44-20-8-12-24-50(44)55/h1-36H,58H2.

What are the key properties of [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane?

[11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane has a molecular weight of 787.98 g/mol, XLogP of 11.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [11-[4-[(4-carbazol-9-ylphenyl)-diphenylsilyl]phenyl]indolo[2,3-a]carbazol-12-yl]phosphane is sourced from PubChem (CID 169076275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).