1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol

C28H20N2O — CID 155907103

IUPAC1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol
SMILESCc1cc2nc3cc(-c4c(O)ccc5ccccc45)c4ccccc4c3nc2cc1C
InChIInChI=1S/C28H20N2O/c1-16-13-23-24(14-17(16)2)30-28-21-10-6-5-9-20(21)22(15-25(28)29-23)27-19-8-4-3-7-18(19)11-12-26(27)31/h3-15,31H,1-2H3
InChIKeyIDCDJCIMRGBCPI-UHFFFAOYSA-N
MW400.48 g/mol
LogP7.08
Rot. Bonds1

About 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol

1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol (PubChem CID 155907103) has the molecular formula C28H20N2O and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol
PubChem CID155907103
Molecular FormulaC28H20N2O
Molecular Weight400.48 g/mol
Exact Mass400.16
IUPAC Name1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol
SMILESCc1cc2nc3cc(-c4c(O)ccc5ccccc45)c4ccccc4c3nc2cc1C
InChIInChI=1S/C28H20N2O/c1-16-13-23-24(14-17(16)2)30-28-21-10-6-5-9-20(21)22(15-25(28)29-23)27-19-8-4-3-7-18(19)11-12-26(27)31/h3-15,31H,1-2H3
InChIKeyIDCDJCIMRGBCPI-UHFFFAOYSA-N
XLogP7.08
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol?
The IUPAC name of 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol (CID 155907103) is 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol?
The canonical SMILES for 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol is Cc1cc2nc3cc(-c4c(O)ccc5ccccc45)c4ccccc4c3nc2cc1C.
What is the InChIKey of 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol?
The InChIKey is IDCDJCIMRGBCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O/c1-16-13-23-24(14-17(16)2)30-28-21-10-6-5-9-20(21)22(15-25(28)29-23)27-19-8-4-3-7-18(19)11-12-26(27)31/h3-15,31H,1-2H3.
What are the key properties of 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol?
1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol has a molecular weight of 400.48 g/mol, XLogP of 7.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol is sourced from PubChem (CID 155907103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).