[4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

C46H45N3Si2 — CID 177088090

IUPAC[4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccc([Si](C)(C)C)cc5)nc(-c5ccc([Si](C)(C)C)cc5)n4)c4ccccc4c3)ccc21
InChIInChI=1S/C46H45N3Si2/c1-46(2)41-16-12-11-15-38(41)39-28-32(21-26-42(39)46)34-27-33-13-9-10-14-37(33)40(29-34)45-48-43(30-17-22-35(23-18-30)50(3,4)5)47-44(49-45)31-19-24-36(25-20-31)51(6,7)8/h9-29H,1-8H3
InChIKeyGDBFTMHFMAOODE-UHFFFAOYSA-N
MW696.06 g/mol
LogP11.09
Rot. Bonds6

About [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane

[4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (PubChem CID 177088090) has the molecular formula C46H45N3Si2 and a molecular weight of 696.06 g/mol. Its IUPAC name is [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
PubChem CID177088090
Molecular FormulaC46H45N3Si2
Molecular Weight696.06 g/mol
Exact Mass695.32
IUPAC Name[4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
SMILESCC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccc([Si](C)(C)C)cc5)nc(-c5ccc([Si](C)(C)C)cc5)n4)c4ccccc4c3)ccc21
InChIInChI=1S/C46H45N3Si2/c1-46(2)41-16-12-11-15-38(41)39-28-32(21-26-42(39)46)34-27-33-13-9-10-14-37(33)40(29-34)45-48-43(30-17-22-35(23-18-30)50(3,4)5)47-44(49-45)31-19-24-36(25-20-31)51(6,7)8/h9-29H,1-8H3
InChIKeyGDBFTMHFMAOODE-UHFFFAOYSA-N
XLogP11.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.06
LogP ≤ 511.09
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

2-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 171592076
[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-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-trimethylsilane
CID 176645488
2-(9,9-dimethylfluoren-3-yl)-4-[2-(8-phenanthren-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198469
2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 155465363
4-[4-[3,5-bis[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-6-quinolin-4-yl-1,3,5-triazin-2-yl]quinoline
CID 122427611
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-10,10-dimethyl-2-(4-phenylphenyl)indeno[1,2-g]quinoline
CID 146595180
[4-[4-dibenzothiophen-3-yl-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088299
[4-[7-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylfluoren-3-yl]phenyl]-trimethylsilane
CID 177088254
10,10,12,12-tetramethyl-8-[4-(6-naphthalen-2-ylnaphthalen-2-yl)naphthalen-2-yl]indeno[2,1-b]fluorene
CID 140710765
2-[4-[3-[3-(9,9-dimethylfluoren-3-yl)-2,5-diphenylphenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177079134
2-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146494836

Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane (CID 177088090) is [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccc([Si](C)(C)C)cc5)nc(-c5ccc([Si](C)(C)C)cc5)n4)c4ccccc4c3)ccc21.
What is the InChIKey of [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
The InChIKey is GDBFTMHFMAOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45N3Si2/c1-46(2)41-16-12-11-15-38(41)39-28-32(21-26-42(39)46)34-27-33-13-9-10-14-37(33)40(29-34)45-48-43(30-17-22-35(23-18-30)50(3,4)5)47-44(49-45)31-19-24-36(25-20-31)51(6,7)8/h9-29H,1-8H3.
What are the key properties of [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane?
[4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane has a molecular weight of 696.06 g/mol, XLogP of 11.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-6-(4-trimethylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 177088090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).