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

C33H21NO — CID 165041294

IUPACspiro[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
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Cc3cccc2c31
InChIInChI=1S/C33H21NO/c35-32-23-12-2-4-14-25(23)33(26-15-5-3-13-24(26)32)27-16-6-8-19-30(27)34-29-18-7-1-10-21(29)20-22-11-9-17-28(33)31(22)34/h1-19H,20H2
InChIKeyUFZUNVDONXCIIU-UHFFFAOYSA-N
MW447.54 g/mol
LogP7.30
Rot. Bonds

About 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

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 (PubChem CID 165041294) has the molecular formula C33H21NO and a molecular weight of 447.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namespiro[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
PubChem CID165041294
Molecular FormulaC33H21NO
Molecular Weight447.54 g/mol
Exact Mass447.16
IUPAC Namespiro[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
SMILESO=C1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Cc3cccc2c31
InChIInChI=1S/C33H21NO/c35-32-23-12-2-4-14-25(23)33(26-15-5-3-13-24(26)32)27-16-6-8-19-30(27)34-29-18-7-1-10-21(29)20-22-11-9-17-28(33)31(22)34/h1-19H,20H2
InChIKeyUFZUNVDONXCIIU-UHFFFAOYSA-N
XLogP7.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
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
ethane;spiro[9H-anthracene-10,9'-fluorene]
CID 90717340
10'-(2-dibenzothiophen-4-ylphenyl)spiro[9H-anthracene-10,9'-acridine]
CID 145125673
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
N,10-diphenylspiro[acridine-9,9'-fluorene]-4-amine
CID 155483600
CID 138579740
CID 138579740
21',21'-dimethyl-10-phenylspiro[acridine-9,10'-pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-14'-one
CID 164838773
1'-bromospiro[9H-anthracene-10,9'-fluorene]
CID 142509759

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C1c2ccccc2C2(c3ccccc31)c1ccccc1N1c3ccccc3Cc3cccc2c31.
What is the InChIKey of 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?
The InChIKey is UFZUNVDONXCIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21NO/c35-32-23-12-2-4-14-25(23)33(26-15-5-3-13-24(26)32)27-16-6-8-19-30(27)34-29-18-7-1-10-21(29)20-22-11-9-17-28(33)31(22)34/h1-19H,20H2.
What are the key properties of 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?
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 has a molecular weight of 447.54 g/mol, XLogP of 7.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165041294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).