2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane

C37H38O2 — CID 134370830

IUPAC2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane
SMILESCc1ccc2c(c1)C(CCc1ccc(CC3CO3)cc1)(CCc1ccc(CC3CO3)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C37H38O2/c1-25-3-13-33-34-14-4-26(2)20-36(34)37(35(33)19-25,17-15-27-5-9-29(10-6-27)21-31-23-38-31)18-16-28-7-11-30(12-8-28)22-32-24-39-32/h3-14,19-20,31-32H,15-18,21-24H2,1-2H3
InChIKeyFCYIMOPQZULSIA-UHFFFAOYSA-N
MW514.71 g/mol
LogP7.72
Rot. Bonds10

About 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane

2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane (PubChem CID 134370830) has the molecular formula C37H38O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane
PubChem CID134370830
Molecular FormulaC37H38O2
Molecular Weight514.71 g/mol
Exact Mass514.29
IUPAC Name2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane
SMILESCc1ccc2c(c1)C(CCc1ccc(CC3CO3)cc1)(CCc1ccc(CC3CO3)cc1)c1cc(C)ccc1-2
InChIInChI=1S/C37H38O2/c1-25-3-13-33-34-14-4-26(2)20-36(34)37(35(33)19-25,17-15-27-5-9-29(10-6-27)21-31-23-38-31)18-16-28-7-11-30(12-8-28)22-32-24-39-32/h3-14,19-20,31-32H,15-18,21-24H2,1-2H3
InChIKeyFCYIMOPQZULSIA-UHFFFAOYSA-N
XLogP7.72
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane with MolForge

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Related Compounds

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CID 134983279
CID 17839426
CID 17839426
CID 18714120
CID 18714120
CID 19027397
CID 19027397
CID 20631270
CID 20631270
CID 20668932
CID 20668932
CID 20668938
CID 20668938
CID 21251786
CID 21251786

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane (CID 134370830) is 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane is Cc1ccc2c(c1)C(CCc1ccc(CC3CO3)cc1)(CCc1ccc(CC3CO3)cc1)c1cc(C)ccc1-2.
What is the InChIKey of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
The InChIKey is FCYIMOPQZULSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38O2/c1-25-3-13-33-34-14-4-26(2)20-36(34)37(35(33)19-25,17-15-27-5-9-29(10-6-27)21-31-23-38-31)18-16-28-7-11-30(12-8-28)22-32-24-39-32/h3-14,19-20,31-32H,15-18,21-24H2,1-2H3.
What are the key properties of 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane?
2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane has a molecular weight of 514.71 g/mol, XLogP of 7.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[2,7-dimethyl-9-[2-[4-(oxiran-2-ylmethyl)phenyl]ethyl]fluoren-9-yl]ethyl]phenyl]methyl]oxirane is sourced from PubChem (CID 134370830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).