4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

C30H26O6 — CID 101211605

IUPAC4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESCC(C)(C)c1ccc(-c2c3c(=O)oc(=O)c3c(-c3ccc(C(C)(C)C)cc3)c3c(=O)oc(=O)c23)cc1
InChIInChI=1S/C30H26O6/c1-29(2,3)17-11-7-15(8-12-17)19-21-23(27(33)35-25(21)31)20(24-22(19)26(32)36-28(24)34)16-9-13-18(14-10-16)30(4,5)6/h7-14H,1-6H3
InChIKeyDRBXFKGIVDNXNL-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.42
Rot. Bonds2

About 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone

4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (PubChem CID 101211605) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
PubChem CID101211605
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone
SMILESCC(C)(C)c1ccc(-c2c3c(=O)oc(=O)c3c(-c3ccc(C(C)(C)C)cc3)c3c(=O)oc(=O)c23)cc1
InChIInChI=1S/C30H26O6/c1-29(2,3)17-11-7-15(8-12-17)19-21-23(27(33)35-25(21)31)20(24-22(19)26(32)36-28(24)34)16-9-13-18(14-10-16)30(4,5)6/h7-14H,1-6H3
InChIKeyDRBXFKGIVDNXNL-UHFFFAOYSA-N
XLogP5.42
TPSA94.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
2-(benzylamino)-3-(4-tert-butylphenyl)-6-methylfuro[3,2-c]pyran-4-one
CID 18887976
3-(4-tert-butylphenyl)azuleno[1,2-c]pyran-1-one
CID 165369400
methanol;4-[2,4,6-tris(4-tert-butylphenyl)-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid
CID 139147300
2,3-bis(4-tert-butylphenyl)cyclohexa-2,5-diene-1,4-dione
CID 150929561
5-(4-tert-butylphenyl)-3H-1,3,4-oxadiazol-2-one
CID 858350
CID 142053160
CID 142053160
7,17-diphenyl-4,14-dioxahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),7,9,11(22),12(16),17,19-octaene-3,5,13,15-tetrone
CID 56632747
3-(4-tert-butylphenyl)-1-iodo-2,4-dimethylbenzene
CID 175455440
1-tert-butyl-4-methylbenzene
CID 163486601
2-(4-tert-butylphenyl)-12-(2-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 171053112

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone (CID 101211605) is 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is CC(C)(C)c1ccc(-c2c3c(=O)oc(=O)c3c(-c3ccc(C(C)(C)C)cc3)c3c(=O)oc(=O)c23)cc1.
What is the InChIKey of 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
The InChIKey is DRBXFKGIVDNXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c1-29(2,3)17-11-7-15(8-12-17)19-21-23(27(33)35-25(21)31)20(24-22(19)26(32)36-28(24)34)16-9-13-18(14-10-16)30(4,5)6/h7-14H,1-6H3.
What are the key properties of 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone?
4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone has a molecular weight of 482.53 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(4-tert-butylphenyl)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone is sourced from PubChem (CID 101211605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).