4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine

C29H25NO2 — CID 22590674

IUPAC4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2cc(N3CCOCC3)c3ccccc3c21
InChIInChI=1S/C29H25NO2/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)16-15-26-24-13-7-8-14-25(24)27(21-28(26)32-29)30-17-19-31-20-18-30/h1-16,21H,17-20H2
InChIKeyNYAFDTKXSRBWAJ-UHFFFAOYSA-N
MW419.52 g/mol
LogP6.03
Rot. Bonds3

About 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine

4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine (PubChem CID 22590674) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine.

Molecular Properties

Compound Name4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine
PubChem CID22590674
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC Name4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine
SMILESC1=CC(c2ccccc2)(c2ccccc2)Oc2cc(N3CCOCC3)c3ccccc3c21
InChIInChI=1S/C29H25NO2/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)16-15-26-24-13-7-8-14-25(24)27(21-28(26)32-29)30-17-19-31-20-18-30/h1-16,21H,17-20H2
InChIKeyNYAFDTKXSRBWAJ-UHFFFAOYSA-N
XLogP6.03
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine?
The IUPAC name of 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine (CID 22590674) is 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine.
What is the SMILES notation for 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine?
The canonical SMILES for 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine is C1=CC(c2ccccc2)(c2ccccc2)Oc2cc(N3CCOCC3)c3ccccc3c21.
What is the InChIKey of 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine?
The InChIKey is NYAFDTKXSRBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-3-9-22(10-4-1)29(23-11-5-2-6-12-23)16-15-26-24-13-7-8-14-25(24)27(21-28(26)32-29)30-17-19-31-20-18-30/h1-16,21H,17-20H2.
What are the key properties of 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine?
4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine has a molecular weight of 419.52 g/mol, XLogP of 6.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diphenylbenzo[f]chromen-6-yl)morpholine is sourced from PubChem (CID 22590674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).