3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione

C31H16O4 — CID 121368252

IUPAC3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
SMILESC=C1OC(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2cc3c(cc21)C(=O)OC3=C
InChIInChI=1S/C31H16O4/c1-15-19-11-21-17-7-3-5-9-25(17)31(27(21)13-23(19)29(32)34-15)26-10-6-4-8-18(26)22-12-20-16(2)35-30(33)24(20)14-28(22)31/h3-14H,1-2H2
InChIKeyGUZTVXKMWHZCIH-UHFFFAOYSA-N
MW452.47 g/mol
LogP6.31
Rot. Bonds

About 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione

3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione (PubChem CID 121368252) has the molecular formula C31H16O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione.

Molecular Properties

Compound Name3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
PubChem CID121368252
Molecular FormulaC31H16O4
Molecular Weight452.47 g/mol
Exact Mass452.10
IUPAC Name3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione
SMILESC=C1OC(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2cc3c(cc21)C(=O)OC3=C
InChIInChI=1S/C31H16O4/c1-15-19-11-21-17-7-3-5-9-25(17)31(27(21)13-23(19)29(32)34-15)26-10-6-4-8-18(26)22-12-20-16(2)35-30(33)24(20)14-28(22)31/h3-14H,1-2H2
InChIKeyGUZTVXKMWHZCIH-UHFFFAOYSA-N
XLogP6.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione with MolForge

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Related Compounds

5,6-dichloro-3-methylidene-2-benzofuran-1-one
CID 118463747
spiro[benzo[b]fluorene-11,9'-fluorene]
CID 140775185
CID 58607554
CID 58607554
CID 102192841
CID 102192841
23-methylidene-7,24-dioxahexacyclo[18.7.0.03,11.05,9.013,18.022,26]heptacosa-1(27),3,5(9),10,13,15,17,20,22(26)-nonaene-6,8,25-trione
CID 123358491
5-[2-[9-[2-[(1,3-dioxo-2-benzofuran-5-yl)oxy]phenyl]fluoren-9-yl]phenoxy]-2-benzofuran-1,3-dione
CID 155147619
CID 147413538
CID 147413538
11,11,22,22-tetramethyl-18-methylidene-6,17-dioxahexacyclo[10.10.0.02,10.04,8.013,21.015,19]docosa-2,4(8),9,13,15(19),20-hexaene-5,7,16-trione
CID 161394033
CID 174022816
CID 174022816
2,2-dioxospiro[7,17-dioxa-2λ6-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;ethane;methane;2-methylspiro[7,17-dioxa-2-azapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone;spiro[6,16-dioxapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),2,4(8),9,12,14(18)-hexaene-11,9'-fluorene]-5,7,15,17-tetrone;spiro[7,17-dioxa-2-thiapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(13),3(11),4,9,14,19-hexaene-12,9'-fluorene]-6,8,16,18-tetrone
CID 163583145
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2-[2,3,4,5,6-pentakis(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 101469787

Frequently Asked Questions

What is the IUPAC name of 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione?
The IUPAC name of 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione (CID 121368252) is 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione.
What is the SMILES notation for 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione?
The canonical SMILES for 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione is C=C1OC(=O)c2cc3c(cc21)-c1ccccc1C31c2ccccc2-c2cc3c(cc21)C(=O)OC3=C.
What is the InChIKey of 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione?
The InChIKey is GUZTVXKMWHZCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16O4/c1-15-19-11-21-17-7-3-5-9-25(17)31(27(21)13-23(19)29(32)34-15)26-10-6-4-8-18(26)22-12-20-16(2)35-30(33)24(20)14-28(22)31/h3-14H,1-2H2.
What are the key properties of 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione?
3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione has a molecular weight of 452.47 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3'-dimethylidene-9,9'-spirobi[indeno[1,2-f][2]benzofuran]-1,1'-dione is sourced from PubChem (CID 121368252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).