2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine

C51H37NSi — CID 155787392

IUPAC2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c4ccccc34)cccc21
InChIInChI=1S/C51H37NSi/c1-53(2)47-26-14-13-24-43(47)51-44(25-15-27-48(51)53)49-39-20-9-11-22-41(39)50(42-23-12-10-21-40(42)49)46-33-38(35-18-7-4-8-19-35)32-45(52-46)37-30-28-36(29-31-37)34-16-5-3-6-17-34/h3-33H,1-2H3
InChIKeyPGVWZFOUCKKETD-UHFFFAOYSA-N
MW691.95 g/mol
LogP12.53
Rot. Bonds5

About 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine

2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine (PubChem CID 155787392) has the molecular formula C51H37NSi and a molecular weight of 691.95 g/mol. Its IUPAC name is 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine
PubChem CID155787392
Molecular FormulaC51H37NSi
Molecular Weight691.95 g/mol
Exact Mass691.27
IUPAC Name2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine
SMILESC[Si]1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c4ccccc34)cccc21
InChIInChI=1S/C51H37NSi/c1-53(2)47-26-14-13-24-43(47)51-44(25-15-27-48(51)53)49-39-20-9-11-22-41(39)50(42-23-12-10-21-40(42)49)46-33-38(35-18-7-4-8-19-35)32-45(52-46)37-30-28-36(29-31-37)34-16-5-3-6-17-34/h3-33H,1-2H3
InChIKeyPGVWZFOUCKKETD-UHFFFAOYSA-N
XLogP12.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.95
LogP ≤ 512.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

2-[4-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)pyrimidine;2-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 157286611
4-[10-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)anthracen-9-yl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 155787427
2-[4-[3-[3-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)pyridine
CID 155787405
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 155787420
4-[2-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]-2,6-diphenylpyridine;4-[4-[3-[4-(5,5-dimethylbenzo[b][1]benzosilol-2-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 160731038
5-[4-[6-[4-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 140856453
2-[4-[5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 121402218
2-[4-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 170927900
2-(4-methylphenyl)-4-phenyl-6-(4-phenylphenyl)pyridine
CID 12582139
4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747435
4-[10-(11,11-dimethylbenzo[b]fluoren-4-yl)anthracen-9-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 176793905
4-[3-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]-5,5-dimethyl-2-phenyl-[1]benzosilolo[3,2-d]pyrimidine
CID 140747377

Frequently Asked Questions

What is the IUPAC name of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine?
The IUPAC name of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine (CID 155787392) is 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine.
What is the SMILES notation for 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine?
The canonical SMILES for 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine is C[Si]1(C)c2ccccc2-c2c(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccc6)cc5)n4)c4ccccc34)cccc21.
What is the InChIKey of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine?
The InChIKey is PGVWZFOUCKKETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NSi/c1-53(2)47-26-14-13-24-43(47)51-44(25-15-27-48(51)53)49-39-20-9-11-22-41(39)50(42-23-12-10-21-40(42)49)46-33-38(35-18-7-4-8-19-35)32-45(52-46)37-30-28-36(29-31-37)34-16-5-3-6-17-34/h3-33H,1-2H3.
What are the key properties of 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine?
2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine has a molecular weight of 691.95 g/mol, XLogP of 12.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(5,5-dimethylbenzo[b][1]benzosilol-1-yl)anthracen-9-yl]-4-phenyl-6-(4-phenylphenyl)pyridine is sourced from PubChem (CID 155787392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).