6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine

C26H19N3O — CID 162419297

IUPAC6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine
SMILESCOc1ccc(-c2cc3c(c4ccccc4n3C)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C26H19N3O/c1-29-22-10-6-3-7-18(22)24-23(29)15-19(16-11-13-17(30-2)14-12-16)25-26(24)28-21-9-5-4-8-20(21)27-25/h3-15H,1-2H3
InChIKeyHSDBXONKRMNNGE-UHFFFAOYSA-N
MW389.46 g/mol
LogP6.10
Rot. Bonds2

About 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine

6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine (PubChem CID 162419297) has the molecular formula C26H19N3O and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine
PubChem CID162419297
Molecular FormulaC26H19N3O
Molecular Weight389.46 g/mol
Exact Mass389.15
IUPAC Name6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine
SMILESCOc1ccc(-c2cc3c(c4ccccc4n3C)c3nc4ccccc4nc23)cc1
InChIInChI=1S/C26H19N3O/c1-29-22-10-6-3-7-18(22)24-23(29)15-19(16-11-13-17(30-2)14-12-16)25-26(24)28-21-9-5-4-8-20(21)27-25/h3-15H,1-2H3
InChIKeyHSDBXONKRMNNGE-UHFFFAOYSA-N
XLogP6.10
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine?
The IUPAC name of 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine (CID 162419297) is 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine.
What is the SMILES notation for 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine?
The canonical SMILES for 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine is COc1ccc(-c2cc3c(c4ccccc4n3C)c3nc4ccccc4nc23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine?
The InChIKey is HSDBXONKRMNNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O/c1-29-22-10-6-3-7-18(22)24-23(29)15-19(16-11-13-17(30-2)14-12-16)25-26(24)28-21-9-5-4-8-20(21)27-25/h3-15H,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine?
6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine has a molecular weight of 389.46 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-8-methylindolo[3,2-a]phenazine is sourced from PubChem (CID 162419297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).