spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]

C31H19NO — CID 146268353

IUPACspiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
SMILESc1ccc2c(c1)Nc1cc3oc4ccccc4c3cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H19NO/c1-4-12-23-19(9-1)20-10-2-5-13-24(20)31(23)25-14-6-7-15-27(25)32-28-18-30-22(17-26(28)31)21-11-3-8-16-29(21)33-30/h1-18,32H
InChIKeyXKHYDGIVQZOQPS-UHFFFAOYSA-N
MW421.50 g/mol
LogP8.01
Rot. Bonds

About spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]

spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] (PubChem CID 146268353) has the molecular formula C31H19NO and a molecular weight of 421.50 g/mol. Its IUPAC name is spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene].

Molecular Properties

Compound Namespiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
PubChem CID146268353
Molecular FormulaC31H19NO
Molecular Weight421.50 g/mol
Exact Mass421.15
IUPAC Namespiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
SMILESc1ccc2c(c1)Nc1cc3oc4ccccc4c3cc1C21c2ccccc2-c2ccccc21
InChIInChI=1S/C31H19NO/c1-4-12-23-19(9-1)20-10-2-5-13-24(20)31(23)25-14-6-7-15-27(25)32-28-18-30-22(17-26(28)31)21-11-3-8-16-29(21)33-30/h1-18,32H
InChIKeyXKHYDGIVQZOQPS-UHFFFAOYSA-N
XLogP8.01
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] with MolForge

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Related Compounds

CID 129022969
CID 129022969
3'-dibenzofuran-3-ylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483755
CID 129022952
CID 129022952
CID 129023259
CID 129023259
2-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758447
spiro[26-oxaheptacyclo[21.2.1.05,25.06,18.08,16.09,14.019,24]hexacosa-1,3,5(25),6,8(16),9,11,13,17,19(24),20,22-dodecaene-15,9'-fluorene]
CID 166096305
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153287979
4,6-diphenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 134573611
10,10-dimethylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]
CID 146268279
N-dibenzofuran-2-yl-N-dibenzothiophen-3-ylspiro[10H-acridine-9,9'-fluorene]-4'-amine
CID 166849603
2-(2-methyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran
CID 146397383
9,9'-spirobi[10H-acridine]
CID 11210173

Frequently Asked Questions

What is the IUPAC name of spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The IUPAC name of spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] (CID 146268353) is spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene].
What is the SMILES notation for spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The canonical SMILES for spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] is c1ccc2c(c1)Nc1cc3oc4ccccc4c3cc1C21c2ccccc2-c2ccccc21.
What is the InChIKey of spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
The InChIKey is XKHYDGIVQZOQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19NO/c1-4-12-23-19(9-1)20-10-2-5-13-24(20)31(23)25-14-6-7-15-27(25)32-28-18-30-22(17-26(28)31)21-11-3-8-16-29(21)33-30/h1-18,32H.
What are the key properties of spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene]?
spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] has a molecular weight of 421.50 g/mol, XLogP of 8.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-21,9'-fluorene] is sourced from PubChem (CID 146268353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).