dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane

C56H38Si — CID 123493288

IUPACdinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
SMILESc1ccc([Si](c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H38Si/c1-2-20-47(21-3-1)57(49-34-28-40-15-5-8-18-44(40)37-49,50-35-29-41-16-6-9-19-45(41)38-50)48-32-30-42(31-33-48)55-51-22-10-12-24-53(51)56(54-25-13-11-23-52(54)55)46-27-26-39-14-4-7-17-43(39)36-46/h1-38H
InChIKeyKVBYXMSFZLCQKG-UHFFFAOYSA-N
MW739.01 g/mol
LogP12.16
Rot. Bonds6

About dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane

dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane (PubChem CID 123493288) has the molecular formula C56H38Si and a molecular weight of 739.01 g/mol. Its IUPAC name is dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane.

Molecular Properties

Compound Namedinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
PubChem CID123493288
Molecular FormulaC56H38Si
Molecular Weight739.01 g/mol
Exact Mass738.27
IUPAC Namedinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane
SMILESc1ccc([Si](c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C56H38Si/c1-2-20-47(21-3-1)57(49-34-28-40-15-5-8-18-44(40)37-49,50-35-29-41-16-6-9-19-45(41)38-50)48-32-30-42(31-33-48)55-51-22-10-12-24-53(51)56(54-25-13-11-23-52(54)55)46-27-26-39-14-4-7-17-43(39)36-46/h1-38H
InChIKeyKVBYXMSFZLCQKG-UHFFFAOYSA-N
XLogP12.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.01
LogP ≤ 512.16
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(9,10-dinaphthalen-2-ylanthracen-2-yl)-triphenylsilane
CID 59348733
[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)-6-triphenylsilylanthracen-2-yl]-triphenylsilane
CID 59348741
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
[7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran-2-yl]-triphenylsilane
CID 156626209
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-diphenyl-pyren-1-ylsilane
CID 140868264
[6-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]naphthalen-2-yl]-triphenylsilane;[4-[4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]phenyl]phenyl]-triphenylsilane;[9,9-dimethyl-7-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]fluoren-2-yl]-triphenylsilane;[9,9-dimethyl-7-(10-phenylanthracen-9-yl)fluoren-2-yl]-triphenylsilane;[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-triphenylsilane;[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-triphenylsilane;[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-triphenylsilane;triphenyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane;triphenyl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 160552249
trimethyl-[6-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]naphthalen-2-yl]silane
CID 58151270
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane?
The IUPAC name of dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane (CID 123493288) is dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane.
What is the SMILES notation for dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane?
The canonical SMILES for dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane is c1ccc([Si](c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane?
The InChIKey is KVBYXMSFZLCQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38Si/c1-2-20-47(21-3-1)57(49-34-28-40-15-5-8-18-44(40)37-49,50-35-29-41-16-6-9-19-45(41)38-50)48-32-30-42(31-33-48)55-51-22-10-12-24-53(51)56(54-25-13-11-23-52(54)55)46-27-26-39-14-4-7-17-43(39)36-46/h1-38H.
What are the key properties of dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane?
dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane has a molecular weight of 739.01 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-yl-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-phenylsilane is sourced from PubChem (CID 123493288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).