9,9-dipropyl-1H-indeno[2,1-f]indole

C21H23N — CID 59685316

IUPAC9,9-dipropyl-1H-indeno[2,1-f]indole
SMILESCCCC1(CCC)c2ccccc2-c2cc3c(cc21)CC=N3
InChIInChI=1S/C21H23N/c1-3-10-21(11-4-2)18-8-6-5-7-16(18)17-14-20-15(9-12-22-20)13-19(17)21/h5-8,12-14H,3-4,9-11H2,1-2H3
InChIKeyIVVCCWLKWZAYQI-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.81
Rot. Bonds4

About 9,9-dipropyl-1H-indeno[2,1-f]indole

9,9-dipropyl-1H-indeno[2,1-f]indole (PubChem CID 59685316) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 9,9-dipropyl-1H-indeno[2,1-f]indole.

Molecular Properties

Compound Name9,9-dipropyl-1H-indeno[2,1-f]indole
PubChem CID59685316
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name9,9-dipropyl-1H-indeno[2,1-f]indole
SMILESCCCC1(CCC)c2ccccc2-c2cc3c(cc21)CC=N3
InChIInChI=1S/C21H23N/c1-3-10-21(11-4-2)18-8-6-5-7-16(18)17-14-20-15(9-12-22-20)13-19(17)21/h5-8,12-14H,3-4,9-11H2,1-2H3
InChIKeyIVVCCWLKWZAYQI-UHFFFAOYSA-N
XLogP5.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dipropyl-1H-indeno[2,1-f]indole?
The IUPAC name of 9,9-dipropyl-1H-indeno[2,1-f]indole (CID 59685316) is 9,9-dipropyl-1H-indeno[2,1-f]indole.
What is the SMILES notation for 9,9-dipropyl-1H-indeno[2,1-f]indole?
The canonical SMILES for 9,9-dipropyl-1H-indeno[2,1-f]indole is CCCC1(CCC)c2ccccc2-c2cc3c(cc21)CC=N3.
What is the InChIKey of 9,9-dipropyl-1H-indeno[2,1-f]indole?
The InChIKey is IVVCCWLKWZAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-3-10-21(11-4-2)18-8-6-5-7-16(18)17-14-20-15(9-12-22-20)13-19(17)21/h5-8,12-14H,3-4,9-11H2,1-2H3.
What are the key properties of 9,9-dipropyl-1H-indeno[2,1-f]indole?
9,9-dipropyl-1H-indeno[2,1-f]indole has a molecular weight of 289.42 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dipropyl-1H-indeno[2,1-f]indole is sourced from PubChem (CID 59685316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).