5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine

C27H23N — CID 159361083

IUPAC5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine
SMILESCCN1c2ccccc2Cc2cc3cc4c(cc3cc21)Cc1ccccc1C4
InChIInChI=1S/C27H23N/c1-2-28-26-10-6-5-9-20(26)13-25-16-23-14-21-11-18-7-3-4-8-19(18)12-22(21)15-24(23)17-27(25)28/h3-10,14-17H,2,11-13H2,1H3
InChIKeyHYXQURVIXPTYAJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.40
Rot. Bonds1

About 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine

5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine (PubChem CID 159361083) has the molecular formula C27H23N and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine.

Molecular Properties

Compound Name5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine
PubChem CID159361083
Molecular FormulaC27H23N
Molecular Weight361.49 g/mol
Exact Mass361.18
IUPAC Name5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine
SMILESCCN1c2ccccc2Cc2cc3cc4c(cc3cc21)Cc1ccccc1C4
InChIInChI=1S/C27H23N/c1-2-28-26-10-6-5-9-20(26)13-25-16-23-14-21-11-18-7-3-4-8-19(18)12-22(21)15-24(23)17-27(25)28/h3-10,14-17H,2,11-13H2,1H3
InChIKeyHYXQURVIXPTYAJ-UHFFFAOYSA-N
XLogP6.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine?
The IUPAC name of 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine (CID 159361083) is 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine.
What is the SMILES notation for 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine?
The canonical SMILES for 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine is CCN1c2ccccc2Cc2cc3cc4c(cc3cc21)Cc1ccccc1C4.
What is the InChIKey of 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine?
The InChIKey is HYXQURVIXPTYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N/c1-2-28-26-10-6-5-9-20(26)13-25-16-23-14-21-11-18-7-3-4-8-19(18)12-22(21)15-24(23)17-27(25)28/h3-10,14-17H,2,11-13H2,1H3.
What are the key properties of 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine?
5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine has a molecular weight of 361.49 g/mol, XLogP of 6.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-13,16-dihydro-8H-anthra[2,3-b]acridine is sourced from PubChem (CID 159361083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).