2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione

C36H40I2O2 — CID 10055900

IUPAC2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione
SMILESCCCCc1cc2c(=O)c3c(I)c4c(c(I)c3c2cc1CCCC)c(=O)c1cc(CCCC)c(CCCC)cc14
InChIInChI=1S/C36H40I2O2/c1-5-9-13-21-17-25-27(19-23(21)15-11-7-3)35(39)31-29(25)33(37)32-30(34(31)38)26-18-22(14-10-6-2)24(16-12-8-4)20-28(26)36(32)40/h17-20H,5-16H2,1-4H3
InChIKeyKRHNJSGZSSBPCV-UHFFFAOYSA-N
MW758.52 g/mol
LogP10.48
Rot. Bonds12

About 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione

2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione (PubChem CID 10055900) has the molecular formula C36H40I2O2 and a molecular weight of 758.52 g/mol. Its IUPAC name is 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione.

Molecular Properties

Compound Name2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione
PubChem CID10055900
Molecular FormulaC36H40I2O2
Molecular Weight758.52 g/mol
Exact Mass758.11
IUPAC Name2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione
SMILESCCCCc1cc2c(=O)c3c(I)c4c(c(I)c3c2cc1CCCC)c(=O)c1cc(CCCC)c(CCCC)cc14
InChIInChI=1S/C36H40I2O2/c1-5-9-13-21-17-25-27(19-23(21)15-11-7-3)35(39)31-29(25)33(37)32-30(34(31)38)26-18-22(14-10-6-2)24(16-12-8-4)20-28(26)36(32)40/h17-20H,5-16H2,1-4H3
InChIKeyKRHNJSGZSSBPCV-UHFFFAOYSA-N
XLogP10.48
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.52
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione?
The IUPAC name of 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione (CID 10055900) is 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione.
What is the SMILES notation for 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione?
The canonical SMILES for 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione is CCCCc1cc2c(=O)c3c(I)c4c(c(I)c3c2cc1CCCC)c(=O)c1cc(CCCC)c(CCCC)cc14.
What is the InChIKey of 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione?
The InChIKey is KRHNJSGZSSBPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40I2O2/c1-5-9-13-21-17-25-27(19-23(21)15-11-7-3)35(39)31-29(25)33(37)32-30(34(31)38)26-18-22(14-10-6-2)24(16-12-8-4)20-28(26)36(32)40/h17-20H,5-16H2,1-4H3.
What are the key properties of 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione?
2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione has a molecular weight of 758.52 g/mol, XLogP of 10.48, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetrabutyl-5,11-diiodoindeno[1,2-b]fluorene-6,12-dione is sourced from PubChem (CID 10055900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).