2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine

C49H38N2Si — CID 54141961

IUPAC2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine
SMILESCC[Si]1(C)C(c2cccc(-c3cccc4ccccc34)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C49H38N2Si/c1-3-52(2)48(44-32-16-30-42(50-44)40-28-14-24-34-18-10-12-26-38(34)40)46(36-20-6-4-7-21-36)47(37-22-8-5-9-23-37)49(52)45-33-17-31-43(51-45)41-29-15-25-35-19-11-13-27-39(35)41/h4-33H,3H2,1-2H3
InChIKeyOBSGHAMYPQYAJG-UHFFFAOYSA-N
MW682.94 g/mol
LogP12.83
Rot. Bonds7

About 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine

2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine (PubChem CID 54141961) has the molecular formula C49H38N2Si and a molecular weight of 682.94 g/mol. Its IUPAC name is 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine
PubChem CID54141961
Molecular FormulaC49H38N2Si
Molecular Weight682.94 g/mol
Exact Mass682.28
IUPAC Name2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine
SMILESCC[Si]1(C)C(c2cccc(-c3cccc4ccccc34)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C49H38N2Si/c1-3-52(2)48(44-32-16-30-42(50-44)40-28-14-24-34-18-10-12-26-38(34)40)46(36-20-6-4-7-21-36)47(37-22-8-5-9-23-37)49(52)45-33-17-31-43(51-45)41-29-15-25-35-19-11-13-27-39(35)41/h4-33H,3H2,1-2H3
InChIKeyOBSGHAMYPQYAJG-UHFFFAOYSA-N
XLogP12.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.94
LogP ≤ 512.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-6-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]pyridine
CID 88914352
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
1,1-dimethyl-3,4-bis(3-methylphenyl)-2,5-dinaphthalen-1-ylsilole
CID 54214405
N-(6-naphthalen-1-yl-2-pyridinyl)-4,6-diphenylpyridin-2-amine
CID 90070849
4-naphthalen-1-yl-2,6-diphenylpyrimidine
CID 71273252
4-naphthalen-1-yl-6-(6-naphthalen-1-ylpyrimidin-4-yl)pyrimidine
CID 11618422
3-naphthalen-1-ylbenzo[f]quinoline
CID 59470281
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
6-methyl-2-naphthalen-1-yl-4-phenylquinoline
CID 154716813
4-(4-bromophenyl)-6-naphthalen-1-yl-2-phenylpyrimidine
CID 58028637
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine?
The IUPAC name of 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine (CID 54141961) is 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine.
What is the SMILES notation for 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine?
The canonical SMILES for 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine is CC[Si]1(C)C(c2cccc(-c3cccc4ccccc34)n2)=C(c2ccccc2)C(c2ccccc2)=C1c1cccc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine?
The InChIKey is OBSGHAMYPQYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H38N2Si/c1-3-52(2)48(44-32-16-30-42(50-44)40-28-14-24-34-18-10-12-26-38(34)40)46(36-20-6-4-7-21-36)47(37-22-8-5-9-23-37)49(52)45-33-17-31-43(51-45)41-29-15-25-35-19-11-13-27-39(35)41/h4-33H,3H2,1-2H3.
What are the key properties of 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine?
2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine has a molecular weight of 682.94 g/mol, XLogP of 12.83, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-1-methyl-5-(6-naphthalen-1-yl-2-pyridinyl)-3,4-diphenylsilol-2-yl]-6-naphthalen-1-ylpyridine is sourced from PubChem (CID 54141961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).