3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]

C54H34Si — CID 176862836

IUPAC3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
SMILESc1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C54H34Si/c1-2-16-35(17-3-1)39-32-30-36-18-4-5-19-38(36)53(39)54-46-25-8-6-23-44(46)52(45-24-7-9-26-47(45)54)37-31-33-43-42-22-12-15-29-50(42)55(51(43)34-37)48-27-13-10-20-40(48)41-21-11-14-28-49(41)55/h1-34H
InChIKeyLYOGGNBJJZPJFT-UHFFFAOYSA-N
MW710.95 g/mol
LogP11.49
Rot. Bonds3

About 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]

3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] (PubChem CID 176862836) has the molecular formula C54H34Si and a molecular weight of 710.95 g/mol. Its IUPAC name is 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole].

Molecular Properties

Compound Name3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
PubChem CID176862836
Molecular FormulaC54H34Si
Molecular Weight710.95 g/mol
Exact Mass710.24
IUPAC Name3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
SMILESc1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc1
InChIInChI=1S/C54H34Si/c1-2-16-35(17-3-1)39-32-30-36-18-4-5-19-38(36)53(39)54-46-25-8-6-23-44(46)52(45-24-7-9-26-47(45)54)37-31-33-43-42-22-12-15-29-50(42)55(51(43)34-37)48-27-13-10-20-40(48)41-21-11-14-28-49(41)55/h1-34H
InChIKeyLYOGGNBJJZPJFT-UHFFFAOYSA-N
XLogP11.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.95
LogP ≤ 511.49
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-(9,9-dimethyl-8-phenylfluoren-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]
CID 176862837
9-(3-naphthalen-1-ylphenyl)-10-[4-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413134
3,3'-diphenyl-5,5'-spirobi[benzo[b][1]benzosilole]
CID 132533616
9-phenyl-10-[7-phenyl-8-[4-(2-phenylphenyl)phenyl]naphthalen-2-yl]anthracene
CID 144837407
9-(2-phenylnaphthalen-1-yl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[2-(3-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[3-(3-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[3-(4-phenylphenyl)phenyl]anthracene;9-(7-phenylnaphthalen-1-yl)-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 167593717
3-(4-chlorophenyl)-5,5-dinaphthalen-1-ylbenzo[b][1]benzosilole
CID 155787174
9-naphthalen-1-yl-10-[3-[1-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracene
CID 168786920
9-naphthalen-2-yl-10-(2-naphthalen-2-yl-6-phenylphenyl)anthracene
CID 171447256
9-[3-(1-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-[4-(2-phenylnaphthalen-1-yl)phenyl]anthracene
CID 59413105
9,10-bis[3-(1-phenylnaphthalen-2-yl)phenyl]anthracene
CID 59413167
9-[8-(3-naphthalen-1-ylphenyl)-7-phenylnaphthalen-2-yl]-10-phenylanthracene
CID 144837284
9-[4-(2,6-diphenylphenyl)phenyl]-10-naphthalen-2-ylanthracene
CID 58965768

Frequently Asked Questions

What is the IUPAC name of 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
The IUPAC name of 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] (CID 176862836) is 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole].
What is the SMILES notation for 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
The canonical SMILES for 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] is c1ccc(-c2ccc3ccccc3c2-c2c3ccccc3c(-c3ccc4c(c3)[Si]3(c5ccccc5-c5ccccc53)c3ccccc3-4)c3ccccc23)cc1.
What is the InChIKey of 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
The InChIKey is LYOGGNBJJZPJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34Si/c1-2-16-35(17-3-1)39-32-30-36-18-4-5-19-38(36)53(39)54-46-25-8-6-23-44(46)52(45-24-7-9-26-47(45)54)37-31-33-43-42-22-12-15-29-50(42)55(51(43)34-37)48-27-13-10-20-40(48)41-21-11-14-28-49(41)55/h1-34H.
What are the key properties of 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole]?
3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] has a molecular weight of 710.95 g/mol, XLogP of 11.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[10-(2-phenylnaphthalen-1-yl)anthracen-9-yl]-5,5'-spirobi[benzo[b][1]benzosilole] is sourced from PubChem (CID 176862836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).