1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione

C30H22N2O2 — CID 11430651

IUPAC1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione
SMILESO=C1c2ccccc2C2C1C(c1ccncc1)C1(Cc3ccccc3C1=O)C2c1ccncc1
InChIInChI=1S/C30H22N2O2/c33-28-23-8-4-3-7-22(23)24-25(28)27(19-11-15-32-16-12-19)30(26(24)18-9-13-31-14-10-18)17-20-5-1-2-6-21(20)29(30)34/h1-16,24-27H,17H2
InChIKeyWOVAFQDIUMAXMD-UHFFFAOYSA-N
MW442.52 g/mol
LogP5.38
Rot. Bonds2

About 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione

1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione (PubChem CID 11430651) has the molecular formula C30H22N2O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione.

Molecular Properties

Compound Name1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione
PubChem CID11430651
Molecular FormulaC30H22N2O2
Molecular Weight442.52 g/mol
Exact Mass442.17
IUPAC Name1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione
SMILESO=C1c2ccccc2C2C1C(c1ccncc1)C1(Cc3ccccc3C1=O)C2c1ccncc1
InChIInChI=1S/C30H22N2O2/c33-28-23-8-4-3-7-22(23)24-25(28)27(19-11-15-32-16-12-19)30(26(24)18-9-13-31-14-10-18)17-20-5-1-2-6-21(20)29(30)34/h1-16,24-27H,17H2
InChIKeyWOVAFQDIUMAXMD-UHFFFAOYSA-N
XLogP5.38
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.52
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione?
The IUPAC name of 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione (CID 11430651) is 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione.
What is the SMILES notation for 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione?
The canonical SMILES for 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione is O=C1c2ccccc2C2C1C(c1ccncc1)C1(Cc3ccccc3C1=O)C2c1ccncc1.
What is the InChIKey of 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione?
The InChIKey is WOVAFQDIUMAXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2O2/c33-28-23-8-4-3-7-22(23)24-25(28)27(19-11-15-32-16-12-19)30(26(24)18-9-13-31-14-10-18)17-20-5-1-2-6-21(20)29(30)34/h1-16,24-27H,17H2.
What are the key properties of 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione?
1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione has a molecular weight of 442.52 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipyridin-4-ylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione is sourced from PubChem (CID 11430651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).