21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]

C60H43NSi — CID 177278238

About 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]

21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] (PubChem CID 177278238) has the molecular formula C60H43NSi and a molecular weight of 806.10 g/mol. Its IUPAC name is 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene].

Molecular Properties

• Compound Name: 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
• PubChem CID: 177278238
• Molecular Formula: C60H43NSi
• Molecular Weight: 806.10 g/mol
• Exact Mass: 805.32
• IUPAC Name: 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]
• SMILES: Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5cc6c(cc54)-c4ccccc4C6(C)C)cc31)c1cc(C)ccc1-2
• InChI: InChI=1S/C60H43NSi/c1-36-25-28-43-44-29-26-37(2)32-57(44)62(56(43)31-36)55-24-14-8-18-42(55)45-30-27-38(33-58(45)62)61-53-23-13-12-22-50(53)60(48-20-10-6-15-39(48)40-16-7-11-21-49(40)60)52-35-51-46(34-54(52)61)41-17-5-9-19-47(41)59(51,3)4/h5-35H,1-4H3
• InChIKey: PESMUAPWPSRWQD-UHFFFAOYSA-N
• XLogP: 12.09
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.10
LogP ≤ 5	12.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The IUPAC name of 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] (CID 177278238) is 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene].

What is the SMILES notation for 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The canonical SMILES for 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] is Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6ccccc65)c5cc6c(cc54)-c4ccccc4C6(C)C)cc31)c1cc(C)ccc1-2.

What is the InChIKey of 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

The InChIKey is PESMUAPWPSRWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NSi/c1-36-25-28-43-44-29-26-37(2)32-57(44)62(56(43)31-36)55-24-14-8-18-42(55)45-30-27-38(33-58(45)62)61-53-23-13-12-22-50(53)60(48-20-10-6-15-39(48)40-16-7-11-21-49(40)60)52-35-51-46(34-54(52)61)41-17-5-9-19-47(41)59(51,3)4/h5-35H,1-4H3.

What are the key properties of 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]?

21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] has a molecular weight of 806.10 g/mol, XLogP of 12.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 21-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10,10-dimethylspiro[21-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene] is sourced from PubChem (CID 177278238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).