5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine

C22H19NO — CID 126748977

IUPAC5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine
SMILESCN1c2ccccc2C(C)(C)c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C22H19NO/c1-22(2)16-9-5-6-10-18(16)23(3)20-17(22)13-12-15-14-8-4-7-11-19(14)24-21(15)20/h4-13H,1-3H3
InChIKeyVTFSMTFORLYMJZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.99
Rot. Bonds

About 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine

5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine (PubChem CID 126748977) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine.

Molecular Properties

Compound Name5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine
PubChem CID126748977
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine
SMILESCN1c2ccccc2C(C)(C)c2ccc3c(oc4ccccc43)c21
InChIInChI=1S/C22H19NO/c1-22(2)16-9-5-6-10-18(16)23(3)20-17(22)13-12-15-14-8-4-7-11-19(14)24-21(15)20/h4-13H,1-3H3
InChIKeyVTFSMTFORLYMJZ-UHFFFAOYSA-N
XLogP5.99
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine?
The IUPAC name of 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine (CID 126748977) is 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine.
What is the SMILES notation for 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine?
The canonical SMILES for 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine is CN1c2ccccc2C(C)(C)c2ccc3c(oc4ccccc43)c21.
What is the InChIKey of 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine?
The InChIKey is VTFSMTFORLYMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-22(2)16-9-5-6-10-18(16)23(3)20-17(22)13-12-15-14-8-4-7-11-19(14)24-21(15)20/h4-13H,1-3H3.
What are the key properties of 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine?
5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine has a molecular weight of 313.40 g/mol, XLogP of 5.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,13-trimethyl-[1]benzofuro[3,2-c]acridine is sourced from PubChem (CID 126748977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).