2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)

C37H44N2O2 — CID 91122705

IUPAC2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)
SMILESCN1CCOCC1.CN1CCOCC1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C27H22.2C5H11NO/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;2*1-6-2-4-7-5-3-6/h3-18H,1-2H3;2*2-5H2,1H3
InChIKeyGPVGDAGBHKQCAI-UHFFFAOYSA-N
MW548.77 g/mol
LogP6.56
Rot. Bonds2

About 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)

2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine) (PubChem CID 91122705) has the molecular formula C37H44N2O2 and a molecular weight of 548.77 g/mol. Its IUPAC name is 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine).

Molecular Properties

Compound Name2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)
PubChem CID91122705
Molecular FormulaC37H44N2O2
Molecular Weight548.77 g/mol
Exact Mass548.34
IUPAC Name2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)
SMILESCN1CCOCC1.CN1CCOCC1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2
InChIInChI=1S/C27H22.2C5H11NO/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;2*1-6-2-4-7-5-3-6/h3-18H,1-2H3;2*2-5H2,1H3
InChIKeyGPVGDAGBHKQCAI-UHFFFAOYSA-N
XLogP6.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.77
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)?
The IUPAC name of 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine) (CID 91122705) is 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine).
What is the SMILES notation for 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)?
The canonical SMILES for 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine) is CN1CCOCC1.CN1CCOCC1.Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(C)ccc1-2.
What is the InChIKey of 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)?
The InChIKey is GPVGDAGBHKQCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22.2C5H11NO/c1-19-13-15-23-24-16-14-20(2)18-26(24)27(25(23)17-19,21-9-5-3-6-10-21)22-11-7-4-8-12-22;2*1-6-2-4-7-5-3-6/h3-18H,1-2H3;2*2-5H2,1H3.
What are the key properties of 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine)?
2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine) has a molecular weight of 548.77 g/mol, XLogP of 6.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-9,9-diphenylfluorene;bis(4-methylmorpholine) is sourced from PubChem (CID 91122705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).