[7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite

C27H40O6P2 — CID 58596354

IUPAC[7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite
SMILESCCCC1(C)c2cc(COP(OCC)OCC)ccc2-c2ccc(CP(=O)(OCC)OCC)cc21
InChIInChI=1S/C27H40O6P2/c1-7-16-27(6)25-17-21(19-31-34(29-8-2)30-9-3)12-14-23(25)24-15-13-22(18-26(24)27)20-35(28,32-10-4)33-11-5/h12-15,17-18H,7-11,16,19-20H2,1-6H3
InChIKeyZXEZYOLFBIZKRM-UHFFFAOYSA-N
MW522.56 g/mol
LogP8.36
Rot. Bonds15

About [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite

[7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite (PubChem CID 58596354) has the molecular formula C27H40O6P2 and a molecular weight of 522.56 g/mol. Its IUPAC name is [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite.

Molecular Properties

Compound Name[7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite
PubChem CID58596354
Molecular FormulaC27H40O6P2
Molecular Weight522.56 g/mol
Exact Mass522.23
IUPAC Name[7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite
SMILESCCCC1(C)c2cc(COP(OCC)OCC)ccc2-c2ccc(CP(=O)(OCC)OCC)cc21
InChIInChI=1S/C27H40O6P2/c1-7-16-27(6)25-17-21(19-31-34(29-8-2)30-9-3)12-14-23(25)24-15-13-22(18-26(24)27)20-35(28,32-10-4)33-11-5/h12-15,17-18H,7-11,16,19-20H2,1-6H3
InChIKeyZXEZYOLFBIZKRM-UHFFFAOYSA-N
XLogP8.36
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.56
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-7-(diethoxyphosphorylmethyl)-9,9-dimethylfluorene
CID 59412972
4-butan-2-yloxy-3-(hydroxymethyl)-5-methoxybenzaldehyde;2-(diethoxyphosphorylmethyl)-9-methyl-7-(phosphorosooxymethyl)-9-propylfluorene;ethoxyethane
CID 123215898
4-(diethoxyphosphorylmethyl)-2-fluoroaniline
CID 86697720
1-(diethoxyphosphorylmethyl)-4-methoxybenzene
CID 4063826
1-(diethoxyphosphorylmethyl)-4-[tris[4-(diethoxyphosphorylmethyl)phenyl]methyl]benzene
CID 10920093
1,3-bis(diethoxyphosphorylmethyl)-5-[[ethoxy(methyl)phosphoryl]methyl]benzene;propane
CID 142864650
[2,5-bis(8-bromooctoxy)-4-(diethoxyphosphorylmethyl)phenyl]methyl diethyl phosphite
CID 59769793
1-[chloro(diethoxyphosphoryl)methyl]-3-(diethoxyphosphorylmethyl)benzene
CID 10740436
4-(diethoxyphosphorylmethyl)-2-methylbenzonitrile
CID 71387702
2-[5-(diethoxyphosphorylmethyl)-2-pyridinyl]-5-[[ethoxy(methyl)phosphoryl]methyl]pyridine
CID 88887046
tert-butyl-[[4-(diethoxyphosphorylmethyl)phenyl]methoxy]-dimethylsilane
CID 42600508
1,3-bis(diethoxyphosphorylmethyl)-5-nitrobenzene
CID 132525939

Frequently Asked Questions

What is the IUPAC name of [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite?
The IUPAC name of [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite (CID 58596354) is [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite.
What is the SMILES notation for [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite?
The canonical SMILES for [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite is CCCC1(C)c2cc(COP(OCC)OCC)ccc2-c2ccc(CP(=O)(OCC)OCC)cc21.
What is the InChIKey of [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite?
The InChIKey is ZXEZYOLFBIZKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O6P2/c1-7-16-27(6)25-17-21(19-31-34(29-8-2)30-9-3)12-14-23(25)24-15-13-22(18-26(24)27)20-35(28,32-10-4)33-11-5/h12-15,17-18H,7-11,16,19-20H2,1-6H3.
What are the key properties of [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite?
[7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite has a molecular weight of 522.56 g/mol, XLogP of 8.36, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethoxyphosphorylmethyl)-9-methyl-9-propylfluoren-2-yl]methyl diethyl phosphite is sourced from PubChem (CID 58596354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).