[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane

C56H46Si2 — CID 123901626

IUPAC[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane
SMILESC[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)cc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C56H46Si2/c1-57(2,48-35-25-40-17-8-9-19-44(40)37-48)46-31-26-43(27-32-46)56-51-23-13-12-22-50(51)55(52-36-30-45(38-53(52)56)39-15-6-5-7-16-39)42-28-33-47(34-29-42)58(3,4)54-24-14-20-41-18-10-11-21-49(41)54/h5-38H,1-4H3
InChIKeyBNPVXJDXEXTFQQ-UHFFFAOYSA-N
MW775.16 g/mol
LogP12.95
Rot. Bonds7

About [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane

[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane (PubChem CID 123901626) has the molecular formula C56H46Si2 and a molecular weight of 775.16 g/mol. Its IUPAC name is [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane.

Molecular Properties

Compound Name[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane
PubChem CID123901626
Molecular FormulaC56H46Si2
Molecular Weight775.16 g/mol
Exact Mass774.31
IUPAC Name[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane
SMILESC[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)cc23)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C56H46Si2/c1-57(2,48-35-25-40-17-8-9-19-44(40)37-48)46-31-26-43(27-32-46)56-51-23-13-12-22-50(51)55(52-36-30-45(38-53(52)56)39-15-6-5-7-16-39)42-28-33-47(34-29-42)58(3,4)54-24-14-20-41-18-10-11-21-49(41)54/h5-38H,1-4H3
InChIKeyBNPVXJDXEXTFQQ-UHFFFAOYSA-N
XLogP12.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.16
LogP ≤ 512.95
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

dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane
CID 123743474
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
trimethyl-[6-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]silane
CID 58151270
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323

Frequently Asked Questions

What is the IUPAC name of [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane?
The IUPAC name of [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane (CID 123901626) is [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane.
What is the SMILES notation for [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane?
The canonical SMILES for [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane is C[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccc([Si](C)(C)c4cccc5ccccc45)cc3)c3ccc(-c4ccccc4)cc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane?
The InChIKey is BNPVXJDXEXTFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46Si2/c1-57(2,48-35-25-40-17-8-9-19-44(40)37-48)46-31-26-43(27-32-46)56-51-23-13-12-22-50(51)55(52-36-30-45(38-53(52)56)39-15-6-5-7-16-39)42-28-33-47(34-29-42)58(3,4)54-24-14-20-41-18-10-11-21-49(41)54/h5-38H,1-4H3.
What are the key properties of [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane?
[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane has a molecular weight of 775.16 g/mol, XLogP of 12.95, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane is sourced from PubChem (CID 123901626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).