2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine

C44H37N3 — CID 138484674

IUPAC2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine
SMILESCC1CC=CC2=C1c1ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cccc5ccccc45)n3)cc1C2(C)C
InChIInChI=1S/C44H37N3/c1-26-12-10-19-36-39(26)34-23-21-29(25-38(34)44(36,4)5)41-45-40(46-42(47-41)33-17-11-14-27-13-6-7-15-30(27)33)28-20-22-32-31-16-8-9-18-35(31)43(2,3)37(32)24-28/h6-11,13-26H,12H2,1-5H3
InChIKeyKDLGVVXQVITBGL-UHFFFAOYSA-N
MW607.80 g/mol
LogP10.97
Rot. Bonds3

About 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine

2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine (PubChem CID 138484674) has the molecular formula C44H37N3 and a molecular weight of 607.80 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine
PubChem CID138484674
Molecular FormulaC44H37N3
Molecular Weight607.80 g/mol
Exact Mass607.30
IUPAC Name2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine
SMILESCC1CC=CC2=C1c1ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cccc5ccccc45)n3)cc1C2(C)C
InChIInChI=1S/C44H37N3/c1-26-12-10-19-36-39(26)34-23-21-29(25-38(34)44(36,4)5)41-45-40(46-42(47-41)33-17-11-14-27-13-6-7-15-30(27)33)28-20-22-32-31-16-8-9-18-35(31)43(2,3)37(32)24-28/h6-11,13-26H,12H2,1-5H3
InChIKeyKDLGVVXQVITBGL-UHFFFAOYSA-N
XLogP10.97
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,9,9-trimethyl-3,4-dihydrofluorene;dihydroiodide
CID 142541086
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-1-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176587483
2-(9,9-dimethylfluoren-2-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 162504612
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-4'-yl-1,3,5-triazine
CID 134529412
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170681249
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-spiro[fluorene-9,6'-indeno[2,1-b][1]benzofuran]-9'-yl-1,3,5-triazine
CID 134529294
2-[7-[4-[4-[7-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-ylpyrimidine
CID 58880915
2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427115
2-[4-(9,9-dimethylfluoren-1-yl)naphthalen-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118427208
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-6-(7-naphthalen-2-ylnaphthalen-2-yl)-1,3,5-triazine
CID 176588450
2-dibenzofuran-3-yl-4-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 176588323
2-[5-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[8-(9,9-dimethylfluoren-1-yl)-9,9-dimethylfluoren-2-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine;2-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 160631923

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine?
The IUPAC name of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine (CID 138484674) is 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine is CC1CC=CC2=C1c1ccc(-c3nc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)nc(-c4cccc5ccccc45)n3)cc1C2(C)C.
What is the InChIKey of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine?
The InChIKey is KDLGVVXQVITBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H37N3/c1-26-12-10-19-36-39(26)34-23-21-29(25-38(34)44(36,4)5)41-45-40(46-42(47-41)33-17-11-14-27-13-6-7-15-30(27)33)28-20-22-32-31-16-8-9-18-35(31)43(2,3)37(32)24-28/h6-11,13-26H,12H2,1-5H3.
What are the key properties of 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine?
2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine has a molecular weight of 607.80 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-2-yl)-4-naphthalen-1-yl-6-(5,9,9-trimethyl-5,6-dihydrofluoren-2-yl)-1,3,5-triazine is sourced from PubChem (CID 138484674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).