10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine

C27H17N3O — CID 71108465

IUPAC10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cn2c3ccccc3nc2c2ccccc12
InChIInChI=1S/C27H17N3O/c1-2-10-19-18(9-1)24(17-29-21-12-4-3-11-20(21)28-27(19)29)30-22-13-5-7-15-25(22)31-26-16-8-6-14-23(26)30/h1-17H
InChIKeyNKOCESQVLLHFQH-UHFFFAOYSA-N
MW399.45 g/mol
LogP7.22
Rot. Bonds1

About 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine

10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine (PubChem CID 71108465) has the molecular formula C27H17N3O and a molecular weight of 399.45 g/mol. Its IUPAC name is 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine.

Molecular Properties

Compound Name10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine
PubChem CID71108465
Molecular FormulaC27H17N3O
Molecular Weight399.45 g/mol
Exact Mass399.14
IUPAC Name10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cn2c3ccccc3nc2c2ccccc12
InChIInChI=1S/C27H17N3O/c1-2-10-19-18(9-1)24(17-29-21-12-4-3-11-20(21)28-27(19)29)30-22-13-5-7-15-25(22)31-26-16-8-6-14-23(26)30/h1-17H
InChIKeyNKOCESQVLLHFQH-UHFFFAOYSA-N
XLogP7.22
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine?
The IUPAC name of 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine (CID 71108465) is 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine.
What is the SMILES notation for 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine?
The canonical SMILES for 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cn2c3ccccc3nc2c2ccccc12.
What is the InChIKey of 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine?
The InChIKey is NKOCESQVLLHFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O/c1-2-10-19-18(9-1)24(17-29-21-12-4-3-11-20(21)28-27(19)29)30-22-13-5-7-15-25(22)31-26-16-8-6-14-23(26)30/h1-17H.
What are the key properties of 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine?
10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine has a molecular weight of 399.45 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenoxazine is sourced from PubChem (CID 71108465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).