[4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane

C50H41N3Si — CID 177088272

IUPAC[4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane
SMILESCC1(c2ccccc2)c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2ccc(-c3cccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)c4)c3)cc21
InChIInChI=1S/C50H41N3Si/c1-50(42-11-6-5-7-12-42)46-30-39(34-13-17-43(18-14-34)54(2,3)4)15-19-44(46)45-20-16-40(31-47(45)50)37-9-8-10-38(29-37)41-32-48(35-21-25-51-26-22-35)53-49(33-41)36-23-27-52-28-24-36/h5-33H,1-4H3
InChIKeyMAIJFWTWDOSLGM-UHFFFAOYSA-N
MW711.99 g/mol
LogP12.09
Rot. Bonds7

About [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane

[4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane (PubChem CID 177088272) has the molecular formula C50H41N3Si and a molecular weight of 711.99 g/mol. Its IUPAC name is [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane
PubChem CID177088272
Molecular FormulaC50H41N3Si
Molecular Weight711.99 g/mol
Exact Mass711.31
IUPAC Name[4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane
SMILESCC1(c2ccccc2)c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2ccc(-c3cccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)c4)c3)cc21
InChIInChI=1S/C50H41N3Si/c1-50(42-11-6-5-7-12-42)46-30-39(34-13-17-43(18-14-34)54(2,3)4)15-19-44(46)45-20-16-40(31-47(45)50)37-9-8-10-38(29-37)41-32-48(35-21-25-51-26-22-35)53-49(33-41)36-23-27-52-28-24-36/h5-33H,1-4H3
InChIKeyMAIJFWTWDOSLGM-UHFFFAOYSA-N
XLogP12.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.99
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
[9,9-diphenyl-7-[3-[3-[2-phenyl-6-(3-pyridin-2-ylphenyl)-4-pyridinyl]phenyl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088025
[4-[7-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9,9-dimethylfluoren-4-yl]phenyl]-trimethylsilane
CID 177087843
2,4-bis(3-phenylphenyl)-6-(9-phenyl-9-pyridin-4-ylfluoren-2-yl)pyridine
CID 142385097
4-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
4-[4-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168778737
7-[3-(4,6-diphenyl-2-pyridinyl)-5-pyridin-4-ylphenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 171421622
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 169294673
4-(9,9-diphenyl-7-pyridin-4-ylfluoren-2-yl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 137452128
[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane
CID 177087974
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007

Frequently Asked Questions

What is the IUPAC name of [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane (CID 177088272) is [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane is CC1(c2ccccc2)c2cc(-c3ccc([Si](C)(C)C)cc3)ccc2-c2ccc(-c3cccc(-c4cc(-c5ccncc5)nc(-c5ccncc5)c4)c3)cc21.
What is the InChIKey of [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane?
The InChIKey is MAIJFWTWDOSLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N3Si/c1-50(42-11-6-5-7-12-42)46-30-39(34-13-17-43(18-14-34)54(2,3)4)15-19-44(46)45-20-16-40(31-47(45)50)37-9-8-10-38(29-37)41-32-48(35-21-25-51-26-22-35)53-49(33-41)36-23-27-52-28-24-36/h5-33H,1-4H3.
What are the key properties of [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane?
[4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane has a molecular weight of 711.99 g/mol, XLogP of 12.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-[3-(2,6-dipyridin-4-yl-4-pyridinyl)phenyl]-9-methyl-9-phenylfluoren-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177088272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).