10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine]

C64H44N2Si — CID 177278321

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

10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine] (PubChem CID 177278321) has the molecular formula C64H44N2Si and a molecular weight of 869.16 g/mol. Its IUPAC name is 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine].

Molecular Properties

• Compound Name: 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine]
• PubChem CID: 177278321
• Molecular Formula: C64H44N2Si
• Molecular Weight: 869.16 g/mol
• Exact Mass: 868.33
• IUPAC Name: 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine]
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)C1(c2ccccc2N(c2ccccc2)c2ccccc21)c1ccccc1N3c1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1ccccc1-2
• InChI: InChI=1S/C64H44N2Si/c1-63(2)49-26-10-6-22-43(49)48-39-58-54(40-53(48)63)64(50-27-11-14-30-55(50)65(41-20-4-3-5-21-41)56-31-15-12-28-51(56)64)52-29-13-16-32-57(52)66(58)42-36-37-47-46-25-9-19-35-61(46)67(62(47)38-42)59-33-17-7-23-44(59)45-24-8-18-34-60(45)67/h3-40H,1-2H3
• InChIKey: DFHSVZLECCHEJX-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.16
LogP ≤ 5	13.28
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 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine]?

The IUPAC name of 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine] (CID 177278321) is 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine].

What is the SMILES notation for 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine]?

The canonical SMILES for 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine] is CC1(C)c2ccccc2-c2cc3c(cc21)C1(c2ccccc2N(c2ccccc2)c2ccccc21)c1ccccc1N3c1ccc2c(c1)[Si]1(c3ccccc3-c3ccccc31)c1ccccc1-2.

What is the InChIKey of 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine]?

The InChIKey is DFHSVZLECCHEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44N2Si/c1-63(2)49-26-10-6-22-43(49)48-39-58-54(40-53(48)63)64(50-27-11-14-30-55(50)65(41-20-4-3-5-21-41)56-31-15-12-28-51(56)64)52-29-13-16-32-57(52)66(58)42-36-37-47-46-25-9-19-35-61(46)67(62(47)38-42)59-33-17-7-23-44(59)45-24-8-18-34-60(45)67/h3-40H,1-2H3.

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

10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine] has a molecular weight of 869.16 g/mol, XLogP of 13.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 10,10-dimethyl-10'-phenyl-21-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[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'-acridine] is sourced from PubChem (CID 177278321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).