6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol

C24H18N2O2 — CID 135531645

IUPAC6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol
SMILESCOc1ccc(Cc2c(O)c3ccccc3c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H18N2O2/c1-28-16-12-10-15(11-13-16)14-19-23-22(17-6-2-3-7-18(17)24(19)27)25-20-8-4-5-9-21(20)26-23/h2-13,27H,14H2,1H3
InChIKeyCTNCLEGDHSFHJA-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.24
Rot. Bonds3

About 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol

6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol (PubChem CID 135531645) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol
PubChem CID135531645
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol
SMILESCOc1ccc(Cc2c(O)c3ccccc3c3nc4ccccc4nc23)cc1
InChIInChI=1S/C24H18N2O2/c1-28-16-12-10-15(11-13-16)14-19-23-22(17-6-2-3-7-18(17)24(19)27)25-20-8-4-5-9-21(20)26-23/h2-13,27H,14H2,1H3
InChIKeyCTNCLEGDHSFHJA-UHFFFAOYSA-N
XLogP5.24
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol?
The IUPAC name of 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol (CID 135531645) is 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol is COc1ccc(Cc2c(O)c3ccccc3c3nc4ccccc4nc23)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol?
The InChIKey is CTNCLEGDHSFHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-28-16-12-10-15(11-13-16)14-19-23-22(17-6-2-3-7-18(17)24(19)27)25-20-8-4-5-9-21(20)26-23/h2-13,27H,14H2,1H3.
What are the key properties of 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol?
6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol has a molecular weight of 366.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl]benzo[a]phenazin-5-ol is sourced from PubChem (CID 135531645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).