[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane

C47H41NSi — CID 177087843

IUPAC[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane
SMILESCC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccc([Si](C)(C)C)cc3)cccc21
InChIInChI=1S/C47H41NSi/c1-47(2)42-21-13-20-40(33-22-25-39(26-23-33)49(3,4)5)46(42)41-27-24-36(29-43(41)47)35-18-12-19-37(28-35)45-31-38(32-14-8-6-9-15-32)30-44(48-45)34-16-10-7-11-17-34/h6-31H,1-5H3
InChIKeyIVGHEFDGQBVCFE-UHFFFAOYSA-N
MW647.94 g/mol
LogP12.27
Rot. Bonds6

About [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane

[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane (PubChem CID 177087843) has the molecular formula C47H41NSi and a molecular weight of 647.94 g/mol. Its IUPAC name is [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane
PubChem CID177087843
Molecular FormulaC47H41NSi
Molecular Weight647.94 g/mol
Exact Mass647.30
IUPAC Name[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane
SMILESCC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccc([Si](C)(C)C)cc3)cccc21
InChIInChI=1S/C47H41NSi/c1-47(2)42-21-13-20-40(33-22-25-39(26-23-33)49(3,4)5)46(42)41-27-24-36(29-43(41)47)35-18-12-19-37(28-35)45-31-38(32-14-8-6-9-15-32)30-44(48-45)34-16-10-7-11-17-34/h6-31H,1-5H3
InChIKeyIVGHEFDGQBVCFE-UHFFFAOYSA-N
XLogP12.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.94
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[7-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-9,9-dimethylfluoren-2-yl]-trimethylsilane
CID 177088294
[4-[4-[4-[3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645644
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197
[4-[3-[3-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645488
[4-[3-[3-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645396
4-[4-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 121450715
2-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine;2-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyridine
CID 161235712
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-4-phenyl-6-(3-phenylphenyl)pyridine
CID 146661203
4-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylphenyl]-2,6-diphenylpyridine
CID 174327262
4-[3-[3-[3-(9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272139
4-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyridine
CID 121450695
2-[3-(9,9-dimethyl-4-pyridin-4-ylfluoren-3-yl)phenyl]-4,6-diphenylpyridine
CID 155765247

Frequently Asked Questions

What is the IUPAC name of [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane (CID 177087843) is [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane is CC1(C)c2cc(-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc2-c2c(-c3ccc([Si](C)(C)C)cc3)cccc21.
What is the InChIKey of [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane?
The InChIKey is IVGHEFDGQBVCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H41NSi/c1-47(2)42-21-13-20-40(33-22-25-39(26-23-33)49(3,4)5)46(42)41-27-24-36(29-43(41)47)35-18-12-19-37(28-35)45-31-38(32-14-8-6-9-15-32)30-44(48-45)34-16-10-7-11-17-34/h6-31H,1-5H3.
What are the key properties of [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane?
[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane has a molecular weight of 647.94 g/mol, XLogP of 12.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177087843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).