12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]

C61H42N2Si — CID 177278380

About 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]

12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine] (PubChem CID 177278380) has the molecular formula C61H42N2Si and a molecular weight of 831.11 g/mol. Its IUPAC name is 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine].

Molecular Properties

• Compound Name: 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]
• PubChem CID: 177278380
• Molecular Formula: C61H42N2Si
• Molecular Weight: 831.11 g/mol
• Exact Mass: 830.31
• IUPAC Name: 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]
• SMILES: Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5ccc6ccccc6c54)cc31)c1cc(C)ccc1-2
• InChI: InChI=1S/C61H42N2Si/c1-39-28-32-46-47-33-29-40(2)37-58(47)64(57(46)36-39)56-27-15-8-20-45(56)48-34-31-43(38-59(48)64)63-55-26-14-11-23-51(55)61(52-35-30-41-16-6-7-19-44(41)60(52)63)49-21-9-12-24-53(49)62(42-17-4-3-5-18-42)54-25-13-10-22-50(54)61/h3-38H,1-2H3
• InChIKey: CIPSYHPGXQWRFT-UHFFFAOYSA-N
• XLogP: 12.74
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	831.11
LogP ≤ 5	12.74
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 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]?

The IUPAC name of 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine] (CID 177278380) is 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine].

What is the SMILES notation for 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]?

The canonical SMILES for 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine] is Cc1ccc2c(c1)[Si]1(c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5ccc6ccccc6c54)cc31)c1cc(C)ccc1-2.

What is the InChIKey of 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]?

The InChIKey is CIPSYHPGXQWRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2Si/c1-39-28-32-46-47-33-29-40(2)37-58(47)64(57(46)36-39)56-27-15-8-20-45(56)48-34-31-43(38-59(48)64)63-55-26-14-11-23-51(55)61(52-35-30-41-16-6-7-19-44(41)60(52)63)49-21-9-12-24-53(49)62(42-17-4-3-5-18-42)54-25-13-10-22-50(54)61/h3-38H,1-2H3.

What are the key properties of 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]?

12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine] has a molecular weight of 831.11 g/mol, XLogP of 12.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine] is sourced from PubChem (CID 177278380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).