(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate

C20H17N3O5 — CID 11494624

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate
SMILESCOc1nc(OC)nc(OC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C20H17N3O5/c1-25-17-21-18(26-2)23-19(22-17)28-20(24)27-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3
InChIKeyHOGQEOXPUDENDF-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.22
Rot. Bonds5

About (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate

(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate (PubChem CID 11494624) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate
PubChem CID11494624
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate
SMILESCOc1nc(OC)nc(OC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C20H17N3O5/c1-25-17-21-18(26-2)23-19(22-17)28-20(24)27-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3
InChIKeyHOGQEOXPUDENDF-UHFFFAOYSA-N
XLogP3.22
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
CID 173166332
(4-acetylphenyl) 9H-fluoren-9-ylmethyl carbonate
CID 89246029
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799
9H-fluoren-9-ylmethyl 2-hydroxyethyl carbonate
CID 174872937
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate
CID 139714070
9H-fluoren-9-ylmethyl 3-methyldithiirane-3-carboxylate
CID 58932762
9H-fluoren-9-ylmethyl 3-hydroxy-3-(2-methoxypyrimidin-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171958090

Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate (CID 11494624) is (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate is COc1nc(OC)nc(OC(=O)OCC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate?
The InChIKey is HOGQEOXPUDENDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-25-17-21-18(26-2)23-19(22-17)28-20(24)27-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,11H2,1-2H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate?
(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate has a molecular weight of 379.37 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate is sourced from PubChem (CID 11494624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).