4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine

C29H23NO2 — CID 18714042

IUPAC4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
SMILESC1=CC2(Oc3cc(N4CCOCC4)c4ccccc4c31)c1ccccc1-c1ccccc12
InChIInChI=1S/C29H23NO2/c1-2-10-23-20(7-1)24-13-14-29(32-28(24)19-27(23)30-15-17-31-18-16-30)25-11-5-3-8-21(25)22-9-4-6-12-26(22)29/h1-14,19H,15-18H2
InChIKeyQVXCUTMMYXQYIW-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.01
Rot. Bonds1

About 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine

4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine (PubChem CID 18714042) has the molecular formula C29H23NO2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine.

Molecular Properties

Compound Name4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
PubChem CID18714042
Molecular FormulaC29H23NO2
Molecular Weight417.51 g/mol
Exact Mass417.17
IUPAC Name4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine
SMILESC1=CC2(Oc3cc(N4CCOCC4)c4ccccc4c31)c1ccccc1-c1ccccc12
InChIInChI=1S/C29H23NO2/c1-2-10-23-20(7-1)24-13-14-29(32-28(24)19-27(23)30-15-17-31-18-16-30)25-11-5-3-8-21(25)22-9-4-6-12-26(22)29/h1-14,19H,15-18H2
InChIKeyQVXCUTMMYXQYIW-UHFFFAOYSA-N
XLogP6.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.01
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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Related Compounds

4-[3-(4-methylphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 59805283
4-[3-[(3R)-3-(2-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine
CID 21305843
4-[3-(4-methoxyphenyl)-3-phenylbenzo[f]chromen-6-yl]morpholine
CID 15868597
4-[3-(4-methylphenyl)-3-(4-piperidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 23514747
4-[3-(3-fluoro-4-methylphenyl)-3-(4-methoxy-3-methylphenyl)benzo[f]chromen-6-yl]morpholine
CID 163531869
4-[4-[3-(3-fluorophenyl)-6-morpholin-4-ylbenzo[f]chromen-3-yl]phenyl]morpholine;4-[3-(4-morpholin-4-ylphenyl)-3-[4-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 159518975
4-[3-methyl-3-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]benzo[f]chromen-6-yl]morpholine
CID 139813735
4-[3,3-bis(3-fluoro-4-methoxyphenyl)benzo[f]chromen-6-yl]thiomorpholine
CID 23228089
2'-fluorospiro[benzo[f]chromene-3,9'-fluorene]
CID 100954914
4-(2,2-diphenylchromen-6-yl)morpholine
CID 102389036
4-[10-methoxy-5,5-bis(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15,17,19-nonaen-11-yl]morpholine
CID 66935735
4-[1-phenyl-3,3-bis(4-pyrrolidin-1-ylphenyl)benzo[f]chromen-6-yl]morpholine
CID 164569567

Frequently Asked Questions

What is the IUPAC name of 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine?
The IUPAC name of 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine (CID 18714042) is 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine.
What is the SMILES notation for 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine?
The canonical SMILES for 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine is C1=CC2(Oc3cc(N4CCOCC4)c4ccccc4c31)c1ccccc1-c1ccccc12.
What is the InChIKey of 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine?
The InChIKey is QVXCUTMMYXQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO2/c1-2-10-23-20(7-1)24-13-14-29(32-28(24)19-27(23)30-15-17-31-18-16-30)25-11-5-3-8-21(25)22-9-4-6-12-26(22)29/h1-14,19H,15-18H2.
What are the key properties of 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine?
4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine has a molecular weight of 417.51 g/mol, XLogP of 6.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-spiro[benzo[f]chromene-3,9'-fluorene]-6-ylmorpholine is sourced from PubChem (CID 18714042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).