2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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]

C57H37NOSi — CID 177278267

About 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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]

2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 177278267) has the molecular formula C57H37NOSi and a molecular weight of 780.01 g/mol. Its IUPAC name is 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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: 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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: 177278267
• Molecular Formula: C57H37NOSi
• Molecular Weight: 780.01 g/mol
• Exact Mass: 779.26
• IUPAC Name: 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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)C1(c3cc(C)ccc3-2)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc3c(cc21)oc1ccccc13
• InChI: InChI=1S/C57H37NOSi/c1-34-23-26-37-38-27-24-35(2)30-47(38)57(46(37)29-34)45-17-7-8-18-49(45)58(50-32-44-39-13-3-9-19-51(39)59-52(44)33-48(50)57)36-25-28-43-42-16-6-12-22-55(42)60(56(43)31-36)53-20-10-4-14-40(53)41-15-5-11-21-54(41)60/h3-33H,1-2H3
• InChIKey: CFKDJMGJCOXWNS-UHFFFAOYSA-N
• XLogP: 11.69
• TPSA: 16.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.01
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 177278267) is 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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)C1(c3cc(C)ccc3-2)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2cc3c(cc21)oc1ccccc13.

What is the InChIKey of 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 CFKDJMGJCOXWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NOSi/c1-34-23-26-37-38-27-24-35(2)30-47(38)57(46(37)29-34)45-17-7-8-18-49(45)58(50-32-44-39-13-3-9-19-51(39)59-52(44)33-48(50)57)36-25-28-43-42-16-6-12-22-55(42)60(56(43)31-36)53-20-10-4-14-40(53)41-15-5-11-21-54(41)60/h3-33H,1-2H3.

What are the key properties of 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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]?

2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 780.01 g/mol, XLogP of 11.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7'-dimethyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[10-oxa-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 177278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).