5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one

C28H20N2O3 — CID 155907112

IUPAC5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one
SMILESCc1cc2nc3c(cc(-c4c(O)ccc5ccc(O)cc45)c4ccc(=O)cc43)[nH]c2cc1C
InChIInChI=1S/C28H20N2O3/c1-14-9-23-24(10-15(14)2)30-28-22-12-18(32)6-7-19(22)21(13-25(28)29-23)27-20-11-17(31)5-3-16(20)4-8-26(27)33/h3-13,29,31,33H,1-2H3
InChIKeyWFHQSDHOFPMJKU-UHFFFAOYSA-N
MW432.48 g/mol
LogP6.08
Rot. Bonds1

About 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one

5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one (PubChem CID 155907112) has the molecular formula C28H20N2O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one.

Molecular Properties

Compound Name5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one
PubChem CID155907112
Molecular FormulaC28H20N2O3
Molecular Weight432.48 g/mol
Exact Mass432.15
IUPAC Name5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one
SMILESCc1cc2nc3c(cc(-c4c(O)ccc5ccc(O)cc45)c4ccc(=O)cc43)[nH]c2cc1C
InChIInChI=1S/C28H20N2O3/c1-14-9-23-24(10-15(14)2)30-28-22-12-18(32)6-7-19(22)21(13-25(28)29-23)27-20-11-17(31)5-3-16(20)4-8-26(27)33/h3-13,29,31,33H,1-2H3
InChIKeyWFHQSDHOFPMJKU-UHFFFAOYSA-N
XLogP6.08
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 56.08
H-Bond Donors ≤ 53
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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Related Compounds

1-(9,10-dimethylbenzo[a]phenazin-5-yl)naphthalen-2-ol
CID 155907103
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903792
5-hydroxy-2-oxo-7H-benzo[a]phenazine-9-carboxylic acid
CID 175633079
1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
CID 121311364
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
1-(2-hydroxy-5-methylphenyl)naphthalene-2,6-diol
CID 10015760
1-(2-hydroxy-9,10-dimethylbenzo[a]phenazin-1-yl)-9,10-dimethylbenzo[a]phenazin-2-ol
CID 136911102
1-phenylnaphthalene-2,7-diol
CID 118054370
2-(5-bromo-2-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 55185573
N-[3-(2,7-dihydroxynaphthalen-1-yl)-4-hydroxyphenyl]-4-methylbenzenesulfonamide
CID 25037495
3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
CID 18526145

Frequently Asked Questions

What is the IUPAC name of 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one?
The IUPAC name of 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one (CID 155907112) is 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one.
What is the SMILES notation for 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one?
The canonical SMILES for 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one is Cc1cc2nc3c(cc(-c4c(O)ccc5ccc(O)cc45)c4ccc(=O)cc43)[nH]c2cc1C.
What is the InChIKey of 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one?
The InChIKey is WFHQSDHOFPMJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O3/c1-14-9-23-24(10-15(14)2)30-28-22-12-18(32)6-7-19(22)21(13-25(28)29-23)27-20-11-17(31)5-3-16(20)4-8-26(27)33/h3-13,29,31,33H,1-2H3.
What are the key properties of 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one?
5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one has a molecular weight of 432.48 g/mol, XLogP of 6.08, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,7-dihydroxynaphthalen-1-yl)-9,10-dimethyl-7H-benzo[a]phenazin-2-one is sourced from PubChem (CID 155907112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).