trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane

C59H44Si — CID 59024575

IUPACtrimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C59H44Si/c1-60(2,3)47-35-33-42(34-36-47)58-50-19-9-7-17-48(50)57(49-18-8-10-20-51(49)58)41-27-25-39(26-28-41)43-29-30-45-38-46(32-31-44(45)37-43)59-54-23-13-11-21-52(54)56(40-15-5-4-6-16-40)53-22-12-14-24-55(53)59/h4-38H,1-3H3
InChIKeyVXPOTFZHFOLZPK-UHFFFAOYSA-N
MW781.09 g/mol
LogP16.33
Rot. Bonds6

About trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane

trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane (PubChem CID 59024575) has the molecular formula C59H44Si and a molecular weight of 781.09 g/mol. Its IUPAC name is trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane.

Molecular Properties

Compound Nametrimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
PubChem CID59024575
Molecular FormulaC59H44Si
Molecular Weight781.09 g/mol
Exact Mass780.32
IUPAC Nametrimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane
SMILESC[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4)cc3)c3ccccc23)cc1
InChIInChI=1S/C59H44Si/c1-60(2,3)47-35-33-42(34-36-47)58-50-19-9-7-17-48(50)57(49-18-8-10-20-51(49)58)41-27-25-39(26-28-41)43-29-30-45-38-46(32-31-44(45)37-43)59-54-23-13-11-21-52(54)56(40-15-5-4-6-16-40)53-22-12-14-24-55(53)59/h4-38H,1-3H3
InChIKeyVXPOTFZHFOLZPK-UHFFFAOYSA-N
XLogP16.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms60
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.09
LogP ≤ 516.33
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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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane?
The IUPAC name of trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane (CID 59024575) is trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane.
What is the SMILES notation for trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane?
The canonical SMILES for trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane is C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4)cc3)c3ccccc23)cc1.
What is the InChIKey of trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane?
The InChIKey is VXPOTFZHFOLZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44Si/c1-60(2,3)47-35-33-42(34-36-47)58-50-19-9-7-17-48(50)57(49-18-8-10-20-51(49)58)41-27-25-39(26-28-41)43-29-30-45-38-46(32-31-44(45)37-43)59-54-23-13-11-21-52(54)56(40-15-5-4-6-16-40)53-22-12-14-24-55(53)59/h4-38H,1-3H3.
What are the key properties of trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane?
trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane has a molecular weight of 781.09 g/mol, XLogP of 16.33, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane is sourced from PubChem (CID 59024575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).