bis(9,10-diphenylanthracen-2-yl)-diphenylsilane

C64H44Si — CID 156630661

IUPACbis(9,10-diphenylanthracen-2-yl)-diphenylsilane
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc23)cc1
InChIInChI=1S/C64H44Si/c1-7-23-45(24-8-1)61-53-35-19-21-37-55(53)63(47-27-11-3-12-28-47)59-43-51(39-41-57(59)61)65(49-31-15-5-16-32-49,50-33-17-6-18-34-50)52-40-42-58-60(44-52)64(48-29-13-4-14-30-48)56-38-22-20-36-54(56)62(58)46-25-9-2-10-26-46/h1-44H
InChIKeyTZLXAGGBBKCIGX-UHFFFAOYSA-N
MW841.14 g/mol
LogP14.34
Rot. Bonds8

About bis(9,10-diphenylanthracen-2-yl)-diphenylsilane

bis(9,10-diphenylanthracen-2-yl)-diphenylsilane (PubChem CID 156630661) has the molecular formula C64H44Si and a molecular weight of 841.14 g/mol. Its IUPAC name is bis(9,10-diphenylanthracen-2-yl)-diphenylsilane.

Molecular Properties

Compound Namebis(9,10-diphenylanthracen-2-yl)-diphenylsilane
PubChem CID156630661
Molecular FormulaC64H44Si
Molecular Weight841.14 g/mol
Exact Mass840.32
IUPAC Namebis(9,10-diphenylanthracen-2-yl)-diphenylsilane
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc23)cc1
InChIInChI=1S/C64H44Si/c1-7-23-45(24-8-1)61-53-35-19-21-37-55(53)63(47-27-11-3-12-28-47)59-43-51(39-41-57(59)61)65(49-31-15-5-16-32-49,50-33-17-6-18-34-50)52-40-42-58-60(44-52)64(48-29-13-4-14-30-48)56-38-22-20-36-54(56)62(58)46-25-9-2-10-26-46/h1-44H
InChIKeyTZLXAGGBBKCIGX-UHFFFAOYSA-N
XLogP14.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.14
LogP ≤ 514.34
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

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Chrysene
CID 9171
7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
Dibenzo(a,l)pyrene
CID 9119

Frequently Asked Questions

What is the IUPAC name of bis(9,10-diphenylanthracen-2-yl)-diphenylsilane?
The IUPAC name of bis(9,10-diphenylanthracen-2-yl)-diphenylsilane (CID 156630661) is bis(9,10-diphenylanthracen-2-yl)-diphenylsilane.
What is the SMILES notation for bis(9,10-diphenylanthracen-2-yl)-diphenylsilane?
The canonical SMILES for bis(9,10-diphenylanthracen-2-yl)-diphenylsilane is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc([Si](c4ccccc4)(c4ccccc4)c4ccc5c(-c6ccccc6)c6ccccc6c(-c6ccccc6)c5c4)ccc23)cc1.
What is the InChIKey of bis(9,10-diphenylanthracen-2-yl)-diphenylsilane?
The InChIKey is TZLXAGGBBKCIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H44Si/c1-7-23-45(24-8-1)61-53-35-19-21-37-55(53)63(47-27-11-3-12-28-47)59-43-51(39-41-57(59)61)65(49-31-15-5-16-32-49,50-33-17-6-18-34-50)52-40-42-58-60(44-52)64(48-29-13-4-14-30-48)56-38-22-20-36-54(56)62(58)46-25-9-2-10-26-46/h1-44H.
What are the key properties of bis(9,10-diphenylanthracen-2-yl)-diphenylsilane?
bis(9,10-diphenylanthracen-2-yl)-diphenylsilane has a molecular weight of 841.14 g/mol, XLogP of 14.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9,10-diphenylanthracen-2-yl)-diphenylsilane is sourced from PubChem (CID 156630661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).