(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane

C72H49N3Si — CID 171458575

About (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane

(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane (PubChem CID 171458575) has the molecular formula C72H49N3Si and a molecular weight of 984.29 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane.

Molecular Properties

• Compound Name: (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
• PubChem CID: 171458575
• Molecular Formula: C72H49N3Si
• Molecular Weight: 984.29 g/mol
• Exact Mass: 983.37
• IUPAC Name: (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane
• SMILES: c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)cccc76)ccc54)c3)c2)cc1
• InChI: InChI=1S/C72H49N3Si/c1-4-22-50(23-5-1)51-24-18-25-52(46-51)53-26-19-27-54(47-53)73-67-40-16-12-36-62(67)64-49-56(44-45-69(64)73)75-68-41-17-13-37-63(68)72-70(75)42-21-43-71(72)76(57-29-6-2-7-30-57,58-31-8-3-9-32-58)59-33-20-28-55(48-59)74-65-38-14-10-34-60(65)61-35-11-15-39-66(61)74/h1-49H
• InChIKey: GVEFBBVRSKIAKR-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	984.29
LogP ≤ 5	15.69
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-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane?

The IUPAC name of (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane (CID 171458575) is (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane.

What is the SMILES notation for (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane?

The canonical SMILES for (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane is c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7c([Si](c8ccccc8)(c8ccccc8)c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)cccc76)ccc54)c3)c2)cc1.

What is the InChIKey of (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane?

The InChIKey is GVEFBBVRSKIAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N3Si/c1-4-22-50(23-5-1)51-24-18-25-52(46-51)53-26-19-27-54(47-53)73-67-40-16-12-36-62(67)64-49-56(44-45-69(64)73)75-68-41-17-13-37-63(68)72-70(75)42-21-43-71(72)76(57-29-6-2-7-30-57,58-31-8-3-9-32-58)59-33-20-28-55(48-59)74-65-38-14-10-34-60(65)61-35-11-15-39-66(61)74/h1-49H.

What are the key properties of (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane?

(3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane has a molecular weight of 984.29 g/mol, XLogP of 15.69, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3-carbazol-9-ylphenyl)-diphenyl-[9-[9-[3-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-4-yl]silane is sourced from PubChem (CID 171458575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).