2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile

C28H23N3O4 — CID 2983707

IUPAC2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile
SMILESCC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3c(C)c(C)cc1c32
InChIInChI=1S/C28H23N3O4/c1-13-10-17-14(2)11-27(4,5)31-22(17)20(15(13)3)28(26(31)33)18(12-29)24(30)35-25-21(28)23(32)16-8-6-7-9-19(16)34-25/h6-11H,30H2,1-5H3
InChIKeyCFWJMOMMYJKMNZ-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.32
Rot. Bonds

About 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile

2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile (PubChem CID 2983707) has the molecular formula C28H23N3O4 and a molecular weight of 465.51 g/mol. Its IUPAC name is 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile.

Molecular Properties

Compound Name2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile
PubChem CID2983707
Molecular FormulaC28H23N3O4
Molecular Weight465.51 g/mol
Exact Mass465.17
IUPAC Name2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile
SMILESCC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3c(C)c(C)cc1c32
InChIInChI=1S/C28H23N3O4/c1-13-10-17-14(2)11-27(4,5)31-22(17)20(15(13)3)28(26(31)33)18(12-29)24(30)35-25-21(28)23(32)16-8-6-7-9-19(16)34-25/h6-11H,30H2,1-5H3
InChIKeyCFWJMOMMYJKMNZ-UHFFFAOYSA-N
XLogP4.32
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile?
The IUPAC name of 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile (CID 2983707) is 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile.
What is the SMILES notation for 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile?
The canonical SMILES for 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile is CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3c(C)c(C)cc1c32.
What is the InChIKey of 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile?
The InChIKey is CFWJMOMMYJKMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O4/c1-13-10-17-14(2)11-27(4,5)31-22(17)20(15(13)3)28(26(31)33)18(12-29)24(30)35-25-21(28)23(32)16-8-6-7-9-19(16)34-25/h6-11H,30H2,1-5H3.
What are the key properties of 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile?
2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile has a molecular weight of 465.51 g/mol, XLogP of 4.32, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-5,6,9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-pyrano[2,3-b]chromene]-3'-carbonitrile is sourced from PubChem (CID 2983707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).