methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane

C51H36Si — CID 123285299

IUPACmethyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane
SMILESC[Si](c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C51H36Si/c1-52(42-31-25-35-13-2-4-16-39(35)33-42,43-32-26-36-14-3-5-17-40(36)34-43)41-29-27-38(28-30-41)50-46-20-8-10-22-48(46)51(49-23-11-9-21-47(49)50)45-24-12-18-37-15-6-7-19-44(37)45/h2-34H,1H3
InChIKeyBJKFOOFHHYRXTR-UHFFFAOYSA-N
MW676.94 g/mol
LogP11.89
Rot. Bonds5

About methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane

methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane (PubChem CID 123285299) has the molecular formula C51H36Si and a molecular weight of 676.94 g/mol. Its IUPAC name is methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane.

Molecular Properties

Compound Namemethyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane
PubChem CID123285299
Molecular FormulaC51H36Si
Molecular Weight676.94 g/mol
Exact Mass676.26
IUPAC Namemethyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane
SMILESC[Si](c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C51H36Si/c1-52(42-31-25-35-13-2-4-16-39(35)33-42,43-32-26-36-14-3-5-17-40(36)34-43)41-29-27-38(28-30-41)50-46-20-8-10-22-48(46)51(49-23-11-9-21-47(49)50)45-24-12-18-37-15-6-7-19-44(37)45/h2-34H,1H3
InChIKeyBJKFOOFHHYRXTR-UHFFFAOYSA-N
XLogP11.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.94
LogP ≤ 511.89
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

methyl-dinaphthalen-2-yl-[4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]phenyl]silane
CID 123697504
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
methane;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 142384743
dimethyl-naphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]silane
CID 123357523
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
CID 123472520
methyl-naphthalen-2-yl-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]-phenylsilane
CID 123993063
bis(9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene);9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 160765049
9,10-dinaphthalen-1-ylanthracene;9,10-dinaphthalen-2-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene
CID 159190052
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene
CID 159702993

Frequently Asked Questions

What is the IUPAC name of methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane?
The IUPAC name of methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane (CID 123285299) is methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane.
What is the SMILES notation for methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane?
The canonical SMILES for methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane is C[Si](c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane?
The InChIKey is BJKFOOFHHYRXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36Si/c1-52(42-31-25-35-13-2-4-16-39(35)33-42,43-32-26-36-14-3-5-17-40(36)34-43)41-29-27-38(28-30-41)50-46-20-8-10-22-48(46)51(49-23-11-9-21-47(49)50)45-24-12-18-37-15-6-7-19-44(37)45/h2-34H,1H3.
What are the key properties of methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane?
methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane has a molecular weight of 676.94 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-dinaphthalen-2-yl-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]silane is sourced from PubChem (CID 123285299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).