dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane

C54H38Si — CID 123743474

IUPACdimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane
SMILESC[Si](C)(c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C54H38Si/c1-55(2,50-32-28-39-23-22-37-13-9-14-38-27-31-49(50)54(39)51(37)38)44-29-25-36(26-30-44)41-15-10-16-42(33-41)52-45-17-5-7-19-47(45)53(48-20-8-6-18-46(48)52)43-24-21-35-11-3-4-12-40(35)34-43/h3-34H,1-2H3
InChIKeyXZPFFTWWRYAGRO-UHFFFAOYSA-N
MW714.98 g/mol
LogP13.87
Rot. Bonds5

About dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane

dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane (PubChem CID 123743474) has the molecular formula C54H38Si and a molecular weight of 714.98 g/mol. Its IUPAC name is dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane.

Molecular Properties

Compound Namedimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane
PubChem CID123743474
Molecular FormulaC54H38Si
Molecular Weight714.98 g/mol
Exact Mass714.27
IUPAC Namedimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane
SMILESC[Si](C)(c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C54H38Si/c1-55(2,50-32-28-39-23-22-37-13-9-14-38-27-31-49(50)54(39)51(37)38)44-29-25-36(26-30-44)41-15-10-16-42(33-41)52-45-17-5-7-19-47(45)53(48-20-8-6-18-46(48)52)43-24-21-35-11-3-4-12-40(35)34-43/h3-34H,1-2H3
InChIKeyXZPFFTWWRYAGRO-UHFFFAOYSA-N
XLogP13.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.98
LogP ≤ 513.87
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 140868264
[4-[10-[4-[dimethyl(naphthalen-1-yl)silyl]phenyl]-2-phenylanthracen-9-yl]phenyl]-dimethyl-naphthalen-2-ylsilane
CID 123901626
trimethyl-[6-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]silane
CID 58151270
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
CID 162700922
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540

Frequently Asked Questions

What is the IUPAC name of dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane?
The IUPAC name of dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane (CID 123743474) is dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane.
What is the SMILES notation for dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane?
The canonical SMILES for dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane is C[Si](C)(c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c2)cc1)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane?
The InChIKey is XZPFFTWWRYAGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38Si/c1-55(2,50-32-28-39-23-22-37-13-9-14-38-27-31-49(50)54(39)51(37)38)44-29-25-36(26-30-44)41-15-10-16-42(33-41)52-45-17-5-7-19-47(45)53(48-20-8-6-18-46(48)52)43-24-21-35-11-3-4-12-40(35)34-43/h3-34H,1-2H3.
What are the key properties of dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane?
dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane has a molecular weight of 714.98 g/mol, XLogP of 13.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[4-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-pyren-1-ylsilane is sourced from PubChem (CID 123743474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).