2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine

C25H23N3 — CID 160729817

IUPAC2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine
SMILESCCc1nc(CC)nc(Cc2cccc3c2-c2cc4ccccc4cc2C3)n1
InChIInChI=1S/C25H23N3/c1-3-22-26-23(4-2)28-24(27-22)15-19-11-7-10-18-13-20-12-16-8-5-6-9-17(16)14-21(20)25(18)19/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyTZCLRYIANBUJFS-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.31
Rot. Bonds4

About 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine

2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine (PubChem CID 160729817) has the molecular formula C25H23N3 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine
PubChem CID160729817
Molecular FormulaC25H23N3
Molecular Weight365.48 g/mol
Exact Mass365.19
IUPAC Name2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine
SMILESCCc1nc(CC)nc(Cc2cccc3c2-c2cc4ccccc4cc2C3)n1
InChIInChI=1S/C25H23N3/c1-3-22-26-23(4-2)28-24(27-22)15-19-11-7-10-18-13-20-12-16-8-5-6-9-17(16)14-21(20)25(18)19/h5-12,14H,3-4,13,15H2,1-2H3
InChIKeyTZCLRYIANBUJFS-UHFFFAOYSA-N
XLogP5.31
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine with MolForge

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Related Compounds

benzene;ethane;9H-fluorene;naphthalene;tetrakis(2,4,6-triethyl-1,3,5-triazine)
CID 165033645
5-ethyl-3-methyl-9H-fluorene
CID 145007072
ethane;1-[(10-ethylanthracen-9-yl)methyl]-11H-benzo[b]fluorene;2-[(10-ethylanthracen-9-yl)methyl]-11H-benzo[b]fluorene;9-ethyl-10-(9H-fluoren-1-ylmethyl)anthracene;9-ethyl-10-(9H-fluoren-2-ylmethyl)anthracene;9-ethyl-10-(9H-fluoren-3-ylmethyl)anthracene;9-ethyl-10-(9H-fluoren-4-ylmethyl)anthracene
CID 158893791
3,4-dimethyl-11H-benzo[b]fluorene
CID 159162608
nonacyclo[19.16.0.03,19.04,17.06,15.08,13.023,36.025,34.027,32]heptatriaconta-1(37),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33,35-octadecaene
CID 59787194
11H-benzo[b]fluorene;1,2-diethylbenzene;ethane;9-ethylcarbazole
CID 163607478
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
hexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,22-undecaene
CID 58250867
3-[[5-[(3,5-dimethylphenyl)methyl]-9H-fluoren-3-yl]methyl]-9-methylcarbazole
CID 158159121
5,7,14,16-tetrahydrohexacene
CID 139940246
2-ethyl-N-methyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80936663
4-(phenoxymethyl)-9H-fluorene
CID 3414387

Frequently Asked Questions

What is the IUPAC name of 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine?
The IUPAC name of 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine (CID 160729817) is 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine.
What is the SMILES notation for 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine?
The canonical SMILES for 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine is CCc1nc(CC)nc(Cc2cccc3c2-c2cc4ccccc4cc2C3)n1.
What is the InChIKey of 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine?
The InChIKey is TZCLRYIANBUJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3/c1-3-22-26-23(4-2)28-24(27-22)15-19-11-7-10-18-13-20-12-16-8-5-6-9-17(16)14-21(20)25(18)19/h5-12,14H,3-4,13,15H2,1-2H3.
What are the key properties of 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine?
2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine has a molecular weight of 365.48 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11H-benzo[b]fluoren-4-ylmethyl)-4,6-diethyl-1,3,5-triazine is sourced from PubChem (CID 160729817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).