2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine

C37H40N2O4 — CID 23527512

IUPAC2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine
SMILESC=COCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC=C)nc4)ccc2-3)nc1
InChIInChI=1S/C37H40N2O4/c1-3-40-19-5-21-42-34-15-14-33(38-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(39-26-30)43-22-6-20-41-4-2/h3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2
InChIKeyFJMGJZXUPAYSGR-UHFFFAOYSA-N
MW576.74 g/mol
LogP7.48
Rot. Bonds18

About 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine

2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine (PubChem CID 23527512) has the molecular formula C37H40N2O4 and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine
PubChem CID23527512
Molecular FormulaC37H40N2O4
Molecular Weight576.74 g/mol
Exact Mass576.30
IUPAC Name2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine
SMILESC=COCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC=C)nc4)ccc2-3)nc1
InChIInChI=1S/C37H40N2O4/c1-3-40-19-5-21-42-34-15-14-33(38-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(39-26-30)43-22-6-20-41-4-2/h3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2
InChIKeyFJMGJZXUPAYSGR-UHFFFAOYSA-N
XLogP7.48
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?
The IUPAC name of 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine (CID 23527512) is 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?
The canonical SMILES for 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine is C=COCCCOc1ccc(CCc2ccc3c(c2)Cc2cc(CCc4ccc(OCCCOC=C)nc4)ccc2-3)nc1.
What is the InChIKey of 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?
The InChIKey is FJMGJZXUPAYSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40N2O4/c1-3-40-19-5-21-42-34-15-14-33(38-27-34)13-9-29-11-17-36-32(24-29)25-31-23-28(10-16-35(31)36)7-8-30-12-18-37(39-26-30)43-22-6-20-41-4-2/h3-4,10-12,14-18,23-24,26-27H,1-2,5-9,13,19-22,25H2.
What are the key properties of 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine?
2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine has a molecular weight of 576.74 g/mol, XLogP of 7.48, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenoxypropoxy)-5-[2-[7-[2-[5-(3-ethenoxypropoxy)-2-pyridinyl]ethyl]-9H-fluoren-2-yl]ethyl]pyridine is sourced from PubChem (CID 23527512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).