2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane

C34H32O2 — CID 20668932

IUPAC2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane
SMILESCCC1OC1c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(CC5CO5)cc4)ccc2-3)cc1
InChIInChI=1S/C34H32O2/c1-4-32-33(36-32)24-11-9-23(10-12-24)26-14-16-29-28-15-13-25(18-30(28)34(2,3)31(29)19-26)22-7-5-21(6-8-22)17-27-20-35-27/h5-16,18-19,27,32-33H,4,17,20H2,1-3H3
InChIKeyIFQIVSIOPHDAOH-UHFFFAOYSA-N
MW472.63 g/mol
LogP8.12
Rot. Bonds6

About 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane

2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane (PubChem CID 20668932) has the molecular formula C34H32O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane.

Molecular Properties

Compound Name2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane
PubChem CID20668932
Molecular FormulaC34H32O2
Molecular Weight472.63 g/mol
Exact Mass472.24
IUPAC Name2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane
SMILESCCC1OC1c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(CC5CO5)cc4)ccc2-3)cc1
InChIInChI=1S/C34H32O2/c1-4-32-33(36-32)24-11-9-23(10-12-24)26-14-16-29-28-15-13-25(18-30(28)34(2,3)31(29)19-26)22-7-5-21(6-8-22)17-27-20-35-27/h5-16,18-19,27,32-33H,4,17,20H2,1-3H3
InChIKeyIFQIVSIOPHDAOH-UHFFFAOYSA-N
XLogP8.12
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane?
The IUPAC name of 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane (CID 20668932) is 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane.
What is the SMILES notation for 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane?
The canonical SMILES for 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane is CCC1OC1c1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(CC5CO5)cc4)ccc2-3)cc1.
What is the InChIKey of 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane?
The InChIKey is IFQIVSIOPHDAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32O2/c1-4-32-33(36-32)24-11-9-23(10-12-24)26-14-16-29-28-15-13-25(18-30(28)34(2,3)31(29)19-26)22-7-5-21(6-8-22)17-27-20-35-27/h5-16,18-19,27,32-33H,4,17,20H2,1-3H3.
What are the key properties of 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane?
2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane has a molecular weight of 472.63 g/mol, XLogP of 8.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9,9-dimethyl-7-[4-(oxiran-2-ylmethyl)phenyl]fluoren-2-yl]phenyl]-3-ethyloxirane is sourced from PubChem (CID 20668932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).