[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

C57H55N3Si — CID 177088328

IUPAC[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc([Si](C)(C)C)cc6)n5)cc4)cc32)cc1
InChIInChI=1S/C57H55N3Si/c1-55(2,3)43-26-30-45(31-27-43)57(46-32-28-44(29-33-46)56(4,5)6)50-18-14-13-17-48(50)49-36-25-42(37-51(49)57)38-19-21-40(22-20-38)53-58-52(39-15-11-10-12-16-39)59-54(60-53)41-23-34-47(35-24-41)61(7,8)9/h10-37H,1-9H3
InChIKeyUPPVESNLQGALKC-UHFFFAOYSA-N
MW810.17 g/mol
LogP14.04
Rot. Bonds7

About [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (PubChem CID 177088328) has the molecular formula C57H55N3Si and a molecular weight of 810.17 g/mol. Its IUPAC name is [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
PubChem CID177088328
Molecular FormulaC57H55N3Si
Molecular Weight810.17 g/mol
Exact Mass809.42
IUPAC Name[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc([Si](C)(C)C)cc6)n5)cc4)cc32)cc1
InChIInChI=1S/C57H55N3Si/c1-55(2,3)43-26-30-45(31-27-43)57(46-32-28-44(29-33-46)56(4,5)6)50-18-14-13-17-48(50)49-36-25-42(37-51(49)57)38-19-21-40(22-20-38)53-58-52(39-15-11-10-12-16-39)59-54(60-53)41-23-34-47(35-24-41)61(7,8)9/h10-37H,1-9H3
InChIKeyUPPVESNLQGALKC-UHFFFAOYSA-N
XLogP14.04
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.17
LogP ≤ 514.04
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

[4-[4-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177087811
trimethyl-[4-[4-phenyl-6-[3-[3-(2',7,7'-tritert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177088032
trimethyl-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177087878
[4-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-3-yl]phenyl]-trimethylsilane
CID 177088237
[4-[4-[4-(9,9-diphenylfluoren-2-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177087819
2-(2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153287761
trimethyl-[4-[4-(2-phenylphenyl)-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177088259
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
trimethyl-[3-[4-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(3-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane
CID 177087886
[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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (CID 177088328) is [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc([Si](C)(C)C)cc6)n5)cc4)cc32)cc1.
What is the InChIKey of [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The InChIKey is UPPVESNLQGALKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H55N3Si/c1-55(2,3)43-26-30-45(31-27-43)57(46-32-28-44(29-33-46)56(4,5)6)50-18-14-13-17-48(50)49-36-25-42(37-51(49)57)38-19-21-40(22-20-38)53-58-52(39-15-11-10-12-16-39)59-54(60-53)41-23-34-47(35-24-41)61(7,8)9/h10-37H,1-9H3.
What are the key properties of [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane has a molecular weight of 810.17 g/mol, XLogP of 14.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177088328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).