diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane

C72H48N4Si — CID 88576991

About diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane

diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane (PubChem CID 88576991) has the molecular formula C72H48N4Si and a molecular weight of 997.29 g/mol. Its IUPAC name is diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane.

Molecular Properties

• Compound Name: diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
• PubChem CID: 88576991
• Molecular Formula: C72H48N4Si
• Molecular Weight: 997.29 g/mol
• Exact Mass: 996.36
• IUPAC Name: diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane
• SMILES: c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6)cc5)c4c32)cc1
• InChI: InChI=1S/C72H48N4Si/c1-5-21-49(22-6-1)73-65-33-17-13-29-57(65)61-45-47-63-59-31-15-19-35-67(59)75(71(63)69(61)73)51-37-41-55(42-38-51)77(53-25-9-3-10-26-53,54-27-11-4-12-28-54)56-43-39-52(40-44-56)76-68-36-20-16-32-60(68)64-48-46-62-58-30-14-18-34-66(58)74(70(62)72(64)76)50-23-7-2-8-24-50/h1-48H
• InChIKey: QDWVOPRGSFITNQ-UHFFFAOYSA-N
• XLogP: 15.45
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	997.29
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane?

The IUPAC name of diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane (CID 88576991) is diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane.

What is the SMILES notation for diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane?

The canonical SMILES for diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane is c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc6)cc5)c4c32)cc1.

What is the InChIKey of diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane?

The InChIKey is QDWVOPRGSFITNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N4Si/c1-5-21-49(22-6-1)73-65-33-17-13-29-57(65)61-45-47-63-59-31-15-19-35-67(59)75(71(63)69(61)73)51-37-41-55(42-38-51)77(53-25-9-3-10-26-53,54-27-11-4-12-28-54)56-43-39-52(40-44-56)76-68-36-20-16-32-60(68)64-48-46-62-58-30-14-18-34-66(58)74(70(62)72(64)76)50-23-7-2-8-24-50/h1-48H.

What are the key properties of diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane?

diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane has a molecular weight of 997.29 g/mol, XLogP of 15.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-bis[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]silane is sourced from PubChem (CID 88576991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).