2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine

C50H37N3 — CID 118427296

IUPAC2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESCCC1(CC)c2ccccc2-c2cccc(-c3ccc4ccccc4c3-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c21
InChIInChI=1S/C50H37N3/c1-3-50(4-2)44-29-12-11-24-38(44)40-25-15-26-41(46(40)50)39-31-30-34-18-7-10-23-37(34)45(39)49-52-47(42-27-13-19-32-16-5-8-21-35(32)42)51-48(53-49)43-28-14-20-33-17-6-9-22-36(33)43/h5-31H,3-4H2,1-2H3
InChIKeyMCHBCYFTRQEZBG-UHFFFAOYSA-N
MW679.87 g/mol
LogP13.09
Rot. Bonds6

About 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine

2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (PubChem CID 118427296) has the molecular formula C50H37N3 and a molecular weight of 679.87 g/mol. Its IUPAC name is 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
PubChem CID118427296
Molecular FormulaC50H37N3
Molecular Weight679.87 g/mol
Exact Mass679.30
IUPAC Name2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
SMILESCCC1(CC)c2ccccc2-c2cccc(-c3ccc4ccccc4c3-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c21
InChIInChI=1S/C50H37N3/c1-3-50(4-2)44-29-12-11-24-38(44)40-25-15-26-41(46(40)50)39-31-30-34-18-7-10-23-37(34)45(39)49-52-47(42-27-13-19-32-16-5-8-21-35(32)42)51-48(53-49)43-28-14-20-33-17-6-9-22-36(33)43/h5-31H,3-4H2,1-2H3
InChIKeyMCHBCYFTRQEZBG-UHFFFAOYSA-N
XLogP13.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.87
LogP ≤ 513.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine with MolForge

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Related Compounds

2-[2-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-di(phenanthren-2-yl)-1,3,5-triazine
CID 118426887
2,4-diphenyl-6-[2-(9,9,10,10-tetramethylphenanthren-4-yl)naphthalen-1-yl]-1,3,5-triazine
CID 163608470
11-(9,9-diethylfluoren-2-yl)-3-naphthalen-1-ylpentacyclo[10.8.0.02,10.04,9.013,18]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
CID 123906483
2-naphthalen-1-yl-4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 167359801
2-[2-(11,11-dimethylbenzo[b]fluoren-4-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 176794151
2,4-dinaphthalen-1-yl-6-[6-(9,9'-spirobi[fluorene]-1'-yl)naphthalen-2-yl]-1,3,5-triazine
CID 146648292
2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427208
2,4-dinaphthalen-1-yl-6-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]-1,3,5-triazine
CID 167359765
2-naphthalen-1-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146649139
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
2-(3,5-dinaphthalen-1-ylphenyl)-7-[7-(3,5-dinaphthalen-1-ylphenyl)-9,9-diethylfluoren-2-yl]-9,9-diethylfluorene
CID 58880878
1'-methylspiro[benzo[c]fluorene-7,9'-fluorene]
CID 153412677

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The IUPAC name of 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine (CID 118427296) is 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The canonical SMILES for 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is CCC1(CC)c2ccccc2-c2cccc(-c3ccc4ccccc4c3-c3nc(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)n3)c21.
What is the InChIKey of 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
The InChIKey is MCHBCYFTRQEZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37N3/c1-3-50(4-2)44-29-12-11-24-38(44)40-25-15-26-41(46(40)50)39-31-30-34-18-7-10-23-37(34)45(39)49-52-47(42-27-13-19-32-16-5-8-21-35(32)42)51-48(53-49)43-28-14-20-33-17-6-9-22-36(33)43/h5-31H,3-4H2,1-2H3.
What are the key properties of 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine?
2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine has a molecular weight of 679.87 g/mol, XLogP of 13.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9,9-diethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine is sourced from PubChem (CID 118427296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).