7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione

C24H16FNO3 — CID 171342811

IUPAC7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione
SMILESCC(C)n1c2c(=O)c(-c3ccc(F)cc3)cc(=O)c2c2c(=O)c3ccccc3c21
InChIInChI=1S/C24H16FNO3/c1-12(2)26-21-15-5-3-4-6-16(15)23(28)20(21)19-18(27)11-17(24(29)22(19)26)13-7-9-14(25)10-8-13/h3-12H,1-2H3
InChIKeyYIRCMVHKWGGAHX-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.29
Rot. Bonds2

About 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione

7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione (PubChem CID 171342811) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione
PubChem CID171342811
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione
SMILESCC(C)n1c2c(=O)c(-c3ccc(F)cc3)cc(=O)c2c2c(=O)c3ccccc3c21
InChIInChI=1S/C24H16FNO3/c1-12(2)26-21-15-5-3-4-6-16(15)23(28)20(21)19-18(27)11-17(24(29)22(19)26)13-7-9-14(25)10-8-13/h3-12H,1-2H3
InChIKeyYIRCMVHKWGGAHX-UHFFFAOYSA-N
XLogP4.29
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24764502
5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826109
7-methyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66637000
5(3-Phenylpropyl)-5,7,8-tetrahydroindeno[1,2-b]indol-9,10-dione
CID 24204512
5-benzyl-7-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 406584
7-methyl-5-propan-2-yl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 66636984
5-(1-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826110
5-Propan-2-yl-7,8-dihydroindeno[1,2-b]indole-6,9,10-trione
CID 73353970
7-phenyl-5-(2-phenylethyl)-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 101913604
8,8-Dibenzyl-5-propan-2-yl-6,7-dihydroindeno[1,2-b]indole-9,10-dione
CID 118719585
5-phenyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione
CID 24826111
5-Benzylindeno[1,2-b]indole-6,9,10-trione
CID 24826192

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione?
The IUPAC name of 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione (CID 171342811) is 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione.
What is the SMILES notation for 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione?
The canonical SMILES for 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione is CC(C)n1c2c(=O)c(-c3ccc(F)cc3)cc(=O)c2c2c(=O)c3ccccc3c21.
What is the InChIKey of 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione?
The InChIKey is YIRCMVHKWGGAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c1-12(2)26-21-15-5-3-4-6-16(15)23(28)20(21)19-18(27)11-17(24(29)22(19)26)13-7-9-14(25)10-8-13/h3-12H,1-2H3.
What are the key properties of 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione?
7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione has a molecular weight of 385.39 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-propan-2-ylindeno[1,2-b]indole-6,9,10-trione is sourced from PubChem (CID 171342811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).