10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]

C59H37NSi — CID 177278392

IUPAC10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]
SMILESc1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-3)c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6c5ccc5ccccc65)c5ccccc54)cc32)cc1
InChIInChI=1S/C59H37NSi/c1-2-16-38(17-3-1)40-30-33-45-43-20-7-14-28-54(43)61(56(45)36-40)55-29-15-8-21-44(55)46-34-32-41(37-57(46)61)60-52-26-12-10-24-49(52)59(50-25-11-13-27-53(50)60)48-23-9-6-22-47(48)58-42-19-5-4-18-39(42)31-35-51(58)59/h1-37H
InChIKeyXABSEAQSAFTUPC-UHFFFAOYSA-N
MW788.04 g/mol
LogP11.99
Rot. Bonds2

About 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]

10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene] (PubChem CID 177278392) has the molecular formula C59H37NSi and a molecular weight of 788.04 g/mol. Its IUPAC name is 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene].

Molecular Properties

Compound Name10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]
PubChem CID177278392
Molecular FormulaC59H37NSi
Molecular Weight788.04 g/mol
Exact Mass787.27
IUPAC Name10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]
SMILESc1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-3)c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6c5ccc5ccccc65)c5ccccc54)cc32)cc1
InChIInChI=1S/C59H37NSi/c1-2-16-38(17-3-1)40-30-33-45-43-20-7-14-28-54(43)61(56(45)36-40)55-29-15-8-21-44(55)46-34-32-41(37-57(46)61)60-52-26-12-10-24-49(52)59(50-25-11-13-27-53(50)60)48-23-9-6-22-47(48)58-42-19-5-4-18-39(42)31-35-51(58)59/h1-37H
InChIKeyXABSEAQSAFTUPC-UHFFFAOYSA-N
XLogP11.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.04
LogP ≤ 511.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]fluorene]
CID 177278234
9',9'-dimethyl-10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177277982
2,7-diphenyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,9'-fluorene]
CID 177278308
7-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[benzo[a]acridine-12,9'-fluorene]
CID 177278340
9',9'-dimethyl-10-(2-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,10'-anthracene]
CID 177278389
10-spiro[benzo[b][1]benzosilole-5,7'-naphtho[2,1-b][1]benzosilole]-3-ylspiro[acridine-9,9'-thioxanthene]
CID 177278006
12'-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)-10-phenylspiro[acridine-9,7'-benzo[c]acridine]
CID 177278380
10-spiro[benzo[b][1]benzosilole-5,11'-naphtho[1,2-b][1]benzosilole]-3-ylspiro[acridine-9,9'-thioxanthene]
CID 177278048
12',12'-dimethyl-10-(5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,5'-tetracene]
CID 177278071
10-spiro[benzo[b][1]benzosilole-5,5'-naphtho[2,3-b][1]benzosilole]-3'-ylspiro[acridine-9,9'-thioxanthene]
CID 177278326
10-(3',7'-dimethyl-5,5'-spirobi[benzo[b][1]benzosilole]-3-yl)spiro[acridine-9,7'-benzo[c]thioxanthene]
CID 177278025
10-(9'-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,9'-thioxanthene]
CID 177278203

Frequently Asked Questions

What is the IUPAC name of 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]?
The IUPAC name of 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene] (CID 177278392) is 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene].
What is the SMILES notation for 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]?
The canonical SMILES for 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene] is c1ccc(-c2ccc3c(c2)[Si]2(c4ccccc4-3)c3ccccc3-c3ccc(N4c5ccccc5C5(c6ccccc6-c6c5ccc5ccccc65)c5ccccc54)cc32)cc1.
What is the InChIKey of 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]?
The InChIKey is XABSEAQSAFTUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37NSi/c1-2-16-38(17-3-1)40-30-33-45-43-20-7-14-28-54(43)61(56(45)36-40)55-29-15-8-21-44(55)46-34-32-41(37-57(46)61)60-52-26-12-10-24-49(52)59(50-25-11-13-27-53(50)60)48-23-9-6-22-47(48)58-42-19-5-4-18-39(42)31-35-51(58)59/h1-37H.
What are the key properties of 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene]?
10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene] has a molecular weight of 788.04 g/mol, XLogP of 11.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-phenyl-5,5'-spirobi[benzo[b][1]benzosilole]-3'-yl)spiro[acridine-9,7'-benzo[c]fluorene] is sourced from PubChem (CID 177278392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).