3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione

C28H26O2 — CID 11784207

IUPAC3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione
SMILESCC(C)(C)c1ccc2c(=O)c3cc4c(cc3c2c1)c(=O)c1ccc(C(C)(C)C)cc14
InChIInChI=1S/C28H26O2/c1-27(2,3)15-7-9-17-19(11-15)21-13-24-22(14-23(21)25(17)29)20-12-16(28(4,5)6)8-10-18(20)26(24)30/h7-14H,1-6H3
InChIKeyBIHRSFDYGOMIRR-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.49
Rot. Bonds

About 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione

3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione (PubChem CID 11784207) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione.

Molecular Properties

Compound Name3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione
PubChem CID11784207
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione
SMILESCC(C)(C)c1ccc2c(=O)c3cc4c(cc3c2c1)c(=O)c1ccc(C(C)(C)C)cc14
InChIInChI=1S/C28H26O2/c1-27(2,3)15-7-9-17-19(11-15)21-13-24-22(14-23(21)25(17)29)20-12-16(28(4,5)6)8-10-18(20)26(24)30/h7-14H,1-6H3
InChIKeyBIHRSFDYGOMIRR-UHFFFAOYSA-N
XLogP6.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,9-bis(4-tert-butylphenoxy)pentacene-5,7,12,14-tetrone
CID 86088016
2,7-ditert-butylxanthen-9-one
CID 10859809
6,17-ditert-butyl-11,22-dioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),2,4(9),5,7,12,15(20),16,18-nonaene-10,21-dione
CID 122227213
2-tert-butylthioxanthen-9-one
CID 15593710
3,6-ditert-butyl-10-phenylacridin-9-one
CID 139036050
2,7-ditert-butyl-9-(2,7-ditert-butylphenanthren-9-yl)phenanthrene
CID 123877985
6,13-ditert-butyl-15,16-dimethyltricyclo[9.3.1.14,8]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-2,3,9,10-tetrone
CID 100972739
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
CID 54891238
2-bromo-6-tert-butylxanthen-9-one
CID 146176297
9-bromo-2-tert-butylbenzo[c]chromen-6-one
CID 102428910
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
2,8-ditert-butyldibenzofuran
CID 14914466

Frequently Asked Questions

What is the IUPAC name of 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione?
The IUPAC name of 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione (CID 11784207) is 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione.
What is the SMILES notation for 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione?
The canonical SMILES for 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione is CC(C)(C)c1ccc2c(=O)c3cc4c(cc3c2c1)c(=O)c1ccc(C(C)(C)C)cc14.
What is the InChIKey of 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione?
The InChIKey is BIHRSFDYGOMIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-27(2,3)15-7-9-17-19(11-15)21-13-24-22(14-23(21)25(17)29)20-12-16(28(4,5)6)8-10-18(20)26(24)30/h7-14H,1-6H3.
What are the key properties of 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione?
3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione has a molecular weight of 394.51 g/mol, XLogP of 6.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-ditert-butylindeno[1,2-b]fluorene-6,12-dione is sourced from PubChem (CID 11784207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).