3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]

C59H40Si — CID 176862837

IUPAC3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)[Si]4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)c21
InChIInChI=1S/C59H40Si/c1-59(2)57-39(37-18-4-3-5-19-37)27-16-28-48(57)49-29-17-30-50(58(49)59)56-46-25-8-6-23-44(46)55(45-24-7-9-26-47(45)56)38-34-35-43-42-22-12-15-33-53(42)60(54(43)36-38)51-31-13-10-20-40(51)41-21-11-14-32-52(41)60/h3-36H,1-2H3
InChIKeyVAMGJHYVFXQOSH-UHFFFAOYSA-N
MW777.06 g/mol
LogP12.64
Rot. Bonds3

About 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]

3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] (PubChem CID 176862837) has the molecular formula C59H40Si and a molecular weight of 777.06 g/mol. Its IUPAC name is 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole].

Molecular Properties

Compound Name3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
PubChem CID176862837
Molecular FormulaC59H40Si
Molecular Weight777.06 g/mol
Exact Mass776.29
IUPAC Name3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)[Si]4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)c21
InChIInChI=1S/C59H40Si/c1-59(2)57-39(37-18-4-3-5-19-37)27-16-28-48(57)49-29-17-30-50(58(49)59)56-46-25-8-6-23-44(46)55(45-24-7-9-26-47(45)56)38-34-35-43-42-22-12-15-33-53(42)60(54(43)36-38)51-31-13-10-20-40(51)41-21-11-14-32-52(41)60/h3-36H,1-2H3
InChIKeyVAMGJHYVFXQOSH-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.06
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
CID 176862836
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
11,11-dimethyl-10-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 140724696
11,11-dimethyl-10-[4-[10-(2-phenanthren-9-ylphenyl)anthracen-9-yl]phenyl]benzo[a]fluorene
CID 144802961
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
9-[3-(9,9-dimethylfluoren-3-yl)phenyl]-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140784212
11,11-dimethyl-10-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[3-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 157498925
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
10-[3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]-11,11-dimethylbenzo[a]fluorene
CID 140724174
3,3',7,7'-tetrakis(4-phenylphenyl)-5,5'-spirobi[benzo[b][1]benzosilole]
CID 20710018
5-[10-[4-(11,11-dimethylbenzo[a]fluoren-10-yl)phenyl]anthracen-9-yl]benzo[c]phenanthrene;11,11-dimethyl-10-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzo[a]fluorene;11,11-dimethyl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzo[a]fluorene
CID 158676912
2-[10-(11,11-dimethylbenzo[a]fluoren-10-yl)anthracen-9-yl]dibenzofuran
CID 121421339

Frequently Asked Questions

What is the IUPAC name of 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
The IUPAC name of 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] (CID 176862837) is 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole].
What is the SMILES notation for 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
The canonical SMILES for 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] is CC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-c3c4ccccc4c(-c4ccc5c(c4)[Si]4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4ccccc34)c21.
What is the InChIKey of 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
The InChIKey is VAMGJHYVFXQOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40Si/c1-59(2)57-39(37-18-4-3-5-19-37)27-16-28-48(57)49-29-17-30-50(58(49)59)56-46-25-8-6-23-44(46)55(45-24-7-9-26-47(45)56)38-34-35-43-42-22-12-15-33-53(42)60(54(43)36-38)51-31-13-10-20-40(51)41-21-11-14-32-52(41)60/h3-36H,1-2H3.
What are the key properties of 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] has a molecular weight of 777.06 g/mol, XLogP of 12.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] is sourced from PubChem (CID 176862837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).