[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane

C50H41N3Si — CID 177087974

IUPAC[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane
SMILESCC1(c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)c2ccccc2-c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C50H41N3Si/c1-50(45-27-12-11-26-43(45)44-29-28-42(33-46(44)50)54(2,3)4)41-25-15-23-39(32-41)37-21-13-20-36(30-37)38-22-14-24-40(31-38)49-52-47(34-16-7-5-8-17-34)51-48(53-49)35-18-9-6-10-19-35/h5-33H,1-4H3
InChIKeyRDJIQAWPFUFMIW-UHFFFAOYSA-N
MW711.99 g/mol
LogP12.09
Rot. Bonds7

About [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane

[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane (PubChem CID 177087974) has the molecular formula C50H41N3Si and a molecular weight of 711.99 g/mol. Its IUPAC name is [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane
PubChem CID177087974
Molecular FormulaC50H41N3Si
Molecular Weight711.99 g/mol
Exact Mass711.31
IUPAC Name[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane
SMILESCC1(c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)c2ccccc2-c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C50H41N3Si/c1-50(45-27-12-11-26-43(45)44-29-28-42(33-46(44)50)54(2,3)4)41-25-15-23-39(32-41)37-21-13-20-36(30-37)38-22-14-24-40(31-38)49-52-47(34-16-7-5-8-17-34)51-48(53-49)35-18-9-6-10-19-35/h5-33H,1-4H3
InChIKeyRDJIQAWPFUFMIW-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-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9,9-diphenylfluoren-2-yl]-trimethylsilane
CID 177088186
[9,9-dimethyl-7-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088012
[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-[3-[3-(9-methyl-9-phenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 134272146
trimethyl-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177087878
trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177088259
trimethyl-[4-[4-phenyl-6-[3-(3-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177088340
[4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-trimethylsilane
CID 177088237
2,4-diphenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 130375016
[9,9-dimethyl-7-[3-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]fluoren-2-yl]-trimethylsilane
CID 177088154
trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 177087886
2,4-bis[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 118530501

Frequently Asked Questions

What is the IUPAC name of [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane?
The IUPAC name of [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane (CID 177087974) is [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane.
What is the SMILES notation for [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane?
The canonical SMILES for [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane is CC1(c2cccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)c2)c2ccccc2-c2ccc([Si](C)(C)C)cc21.
What is the InChIKey of [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane?
The InChIKey is RDJIQAWPFUFMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41N3Si/c1-50(45-27-12-11-26-43(45)44-29-28-42(33-46(44)50)54(2,3)4)41-25-15-23-39(32-41)37-21-13-20-36(30-37)38-22-14-24-40(31-38)49-52-47(34-16-7-5-8-17-34)51-48(53-49)35-18-9-6-10-19-35/h5-33H,1-4H3.
What are the key properties of [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane?
[9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-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 [9-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-9-methylfluoren-2-yl]-trimethylsilane is sourced from PubChem (CID 177087974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).