3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate

C39H40N2O6 — CID 23527489

IUPAC3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC(=O)C=C)nc4)ccc2-3)nc1
InChIInChI=1S/C39H40N2O6/c1-3-38(42)46-21-5-19-44-34-15-14-33(40-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(41-26-30)45-20-6-22-47-39(43)4-2/h3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2
InChIKeyWRTBVVRRGHATLL-UHFFFAOYSA-N
MW632.76 g/mol
LogP6.61
Rot. Bonds18

About 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate

3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate (PubChem CID 23527489) has the molecular formula C39H40N2O6 and a molecular weight of 632.76 g/mol. Its IUPAC name is 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate.

Molecular Properties

Compound Name3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate
PubChem CID23527489
Molecular FormulaC39H40N2O6
Molecular Weight632.76 g/mol
Exact Mass632.29
IUPAC Name3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC(=O)C=C)nc4)ccc2-3)nc1
InChIInChI=1S/C39H40N2O6/c1-3-38(42)46-21-5-19-44-34-15-14-33(40-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(41-26-30)45-20-6-22-47-39(43)4-2/h3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2
InChIKeyWRTBVVRRGHATLL-UHFFFAOYSA-N
XLogP6.61
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.76
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate 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

3-[4-[4-(7-pentyl-9H-fluoren-2-yl)phenyl]phenoxy]propyl prop-2-enoate
CID 23527476
[2-fluoro-4-[2-(7-pentoxy-9H-fluoren-2-yl)ethyl]phenyl] prop-2-enoate
CID 22630261
[9,9-dimethyl-7-[3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoyloxy]fluoren-2-yl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate
CID 121311031
3-[4-[4-[4-(3-prop-2-enoyloxypropoxy)phenyl]phenyl]phenoxy]propyl prop-2-enoate
CID 158971258
5-(9-prop-2-enoyloxynonoxy)pyridine-2-carboxylic acid
CID 59683870
3-[4-[[4-[[4-(2-prop-2-enoyloxyethyl)phenyl]diazenyl]phenyl]diazenyl]phenoxy]propyl prop-2-enoate
CID 122548317
[4-[4-[4-(2-prop-2-enoyloxyethoxy)benzoyl]oxybenzoyl]oxyphenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 118547325
3-[3-methyl-4-(3-prop-2-enoyloxypropoxy)phenoxy]propyl prop-2-enoate
CID 67394118
[6-[4-(4-prop-2-enoyloxybutoxy)benzoyl]oxypyridazin-3-yl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 118880191
2-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)ethyl prop-2-enoate
CID 123669497
6-[4-[2-[4-(4-methylcyclohexyl)phenyl]ethyl]phenoxy]hexyl prop-2-enoate
CID 161214482
[4-[3-(4-prop-2-enoyloxyphenyl)propanoyloxy]phenyl] 4-(3-prop-2-enoyloxypropoxy)benzoate
CID 170841969

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate?
The IUPAC name of 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate (CID 23527489) is 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate.
What is the SMILES notation for 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate?
The canonical SMILES for 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate is C=CC(=O)OCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC(=O)C=C)nc4)ccc2-3)nc1.
What is the InChIKey of 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate?
The InChIKey is WRTBVVRRGHATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40N2O6/c1-3-38(42)46-21-5-19-44-34-15-14-33(40-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(41-26-30)45-20-6-22-47-39(43)4-2/h3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2.
What are the key properties of 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate?
3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate has a molecular weight of 632.76 g/mol, XLogP of 6.61, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-[7-[2-[6-(3-prop-2-enoyloxypropoxy)-3-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]-3-pyridinyl]oxy]propyl prop-2-enoate is sourced from PubChem (CID 23527489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).