2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]

C60H45NOSi — CID 177278244

About 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]

2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene] (PubChem CID 177278244) has the molecular formula C60H45NOSi and a molecular weight of 824.11 g/mol. Its IUPAC name is 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene].

Molecular Properties

• Compound Name: 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]
• PubChem CID: 177278244
• Molecular Formula: C60H45NOSi
• Molecular Weight: 824.11 g/mol
• Exact Mass: 823.33
• IUPAC Name: 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]
• SMILES: Cc1ccc2c(c1)C1(c3cc(C)ccc3O2)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c1ccc1c2C(C)(C)C2C=CC=CC12
• InChI: InChI=1S/C60H45NOSi/c1-36-25-31-51-48(33-36)60(49-34-37(2)26-32-52(49)62-51)46-20-10-11-21-50(46)61(58-47(60)30-29-44-39-15-5-9-19-45(39)59(3,4)57(44)58)38-27-28-43-42-18-8-14-24-55(42)63(56(43)35-38)53-22-12-6-16-40(53)41-17-7-13-23-54(41)63/h5-35,39,45H,1-4H3
• InChIKey: ROEHXPZQPHMAJU-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	824.11
LogP ≤ 5	12.03
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',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]?

The IUPAC name of 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene] (CID 177278244) is 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene].

What is the SMILES notation for 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]?

The canonical SMILES for 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene] is Cc1ccc2c(c1)C1(c3cc(C)ccc3O2)c2ccccc2N(c2ccc3c(c2)[Si]2(c4ccccc4-c4ccccc42)c2ccccc2-3)c2c1ccc1c2C(C)(C)C2C=CC=CC12.

What is the InChIKey of 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]?

The InChIKey is ROEHXPZQPHMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NOSi/c1-36-25-31-51-48(33-36)60(49-34-37(2)26-32-52(49)62-51)46-20-10-11-21-50(46)61(58-47(60)30-29-44-39-15-5-9-19-45(39)59(3,4)57(44)58)38-27-28-43-42-18-8-14-24-55(42)63(56(43)35-38)53-22-12-6-16-40(53)41-17-7-13-23-54(41)63/h5-35,39,45H,1-4H3.

What are the key properties of 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene]?

2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene] has a molecular weight of 824.11 g/mol, XLogP of 12.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2',7',13,13-tetramethyl-12-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[4a,13a-dihydroindeno[1,2-c]acridine-7,9'-xanthene] is sourced from PubChem (CID 177278244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).