1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline

C21H23N — CID 134249753

IUPAC1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline
SMILESCc1cc2c3c(ccc2c2cccnc12)C(C)(C)CC3(C)C
InChIInChI=1S/C21H23N/c1-13-11-16-14(15-7-6-10-22-19(13)15)8-9-17-18(16)21(4,5)12-20(17,2)3/h6-11H,12H2,1-5H3
InChIKeyLGVDAFVVWKGHQT-UHFFFAOYSA-N
MW289.42 g/mol
LogP5.66
Rot. Bonds

About 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline

1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline (PubChem CID 134249753) has the molecular formula C21H23N and a molecular weight of 289.42 g/mol. Its IUPAC name is 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline.

Molecular Properties

Compound Name1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline
PubChem CID134249753
Molecular FormulaC21H23N
Molecular Weight289.42 g/mol
Exact Mass289.18
IUPAC Name1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline
SMILESCc1cc2c3c(ccc2c2cccnc12)C(C)(C)CC3(C)C
InChIInChI=1S/C21H23N/c1-13-11-16-14(15-7-6-10-22-19(13)15)8-9-17-18(16)21(4,5)12-20(17,2)3/h6-11H,12H2,1-5H3
InChIKeyLGVDAFVVWKGHQT-UHFFFAOYSA-N
XLogP5.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.42
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline?
The IUPAC name of 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline (CID 134249753) is 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline.
What is the SMILES notation for 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline?
The canonical SMILES for 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline is Cc1cc2c3c(ccc2c2cccnc12)C(C)(C)CC3(C)C.
What is the InChIKey of 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline?
The InChIKey is LGVDAFVVWKGHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N/c1-13-11-16-14(15-7-6-10-22-19(13)15)8-9-17-18(16)21(4,5)12-20(17,2)3/h6-11H,12H2,1-5H3.
What are the key properties of 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline?
1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline has a molecular weight of 289.42 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,5-pentamethyl-2H-indeno[5,4-f]quinoline is sourced from PubChem (CID 134249753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).