spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one

C32H19NO2 — CID 164809024

IUPACspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Oc3cccc2c31
InChIInChI=1S/C32H19NO2/c34-31-20-10-1-3-12-22(20)32(23-13-4-2-11-21(23)31)24-14-5-6-16-26(24)33-27-17-7-8-18-28(27)35-29-19-9-15-25(32)30(29)33/h1-19H
InChIKeyCFJXIOGROKQYGL-UHFFFAOYSA-N
MW449.51 g/mol
LogP7.50
Rot. Bonds

About spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one

spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one (PubChem CID 164809024) has the molecular formula C32H19NO2 and a molecular weight of 449.51 g/mol. Its IUPAC name is spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one.

Molecular Properties

Compound Namespiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
PubChem CID164809024
Molecular FormulaC32H19NO2
Molecular Weight449.51 g/mol
Exact Mass449.14
IUPAC Namespiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Oc3cccc2c31
InChIInChI=1S/C32H19NO2/c34-31-20-10-1-3-12-22(20)32(23-13-4-2-11-21(23)31)24-14-5-6-16-26(24)33-27-17-7-8-18-28(27)35-29-19-9-15-25(32)30(29)33/h1-19H
InChIKeyCFJXIOGROKQYGL-UHFFFAOYSA-N
XLogP7.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.51
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one with MolForge

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Related Compounds

spiro[1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-8,10'-anthracene]-9'-one
CID 165041294
4-(trifluoromethyl)spiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809058
10'-oxospiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-14,9'-anthracene]-4-carbonitrile
CID 167156949
17-tert-butylspiro[8-thia-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-14,10'-anthracene]-9'-one
CID 164809042
CID 146495452
CID 146495452
2-N',7-N'-dinaphthalen-1-yl-2-N',7-N'-diphenylspiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,9'-fluorene]-2',7'-diamine
CID 118371912
14,14-dimethyl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-18-amine
CID 170656265
2',6'-dimethylspiro[8-selena-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one
CID 164809022
10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
CID 161296094
3-(2,3,4,5,6-pentafluorophenyl)-2-spiro[acridine-9,9'-xanthene]-10-ylbenzonitrile
CID 118920537
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-6'-ylphenoxazine
CID 171799143

Frequently Asked Questions

What is the IUPAC name of spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one?
The IUPAC name of spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one (CID 164809024) is spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one.
What is the SMILES notation for spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one?
The canonical SMILES for spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one is O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Oc3cccc2c31.
What is the InChIKey of spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one?
The InChIKey is CFJXIOGROKQYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19NO2/c34-31-20-10-1-3-12-22(20)32(23-13-4-2-11-21(23)31)24-14-5-6-16-26(24)33-27-17-7-8-18-28(27)35-29-19-9-15-25(32)30(29)33/h1-19H.
What are the key properties of spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one?
spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one has a molecular weight of 449.51 g/mol, XLogP of 7.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene-14,10'-anthracene]-9'-one is sourced from PubChem (CID 164809024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).