1-phthalazin-1-yl-10H-phenoxazine

C20H13N3O — CID 173142694

IUPAC1-phthalazin-1-yl-10H-phenoxazine
SMILESc1ccc2c(c1)Nc1c(cccc1-c1nncc3ccccc13)O2
InChIInChI=1S/C20H13N3O/c1-2-7-14-13(6-1)12-21-23-19(14)15-8-5-11-18-20(15)22-16-9-3-4-10-17(16)24-18/h1-12,22H
InChIKeyCAIRHNNABIFJOJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP5.15
Rot. Bonds1

About 1-phthalazin-1-yl-10H-phenoxazine

1-phthalazin-1-yl-10H-phenoxazine (PubChem CID 173142694) has the molecular formula C20H13N3O and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-phthalazin-1-yl-10H-phenoxazine.

Molecular Properties

Compound Name1-phthalazin-1-yl-10H-phenoxazine
PubChem CID173142694
Molecular FormulaC20H13N3O
Molecular Weight311.34 g/mol
Exact Mass311.11
IUPAC Name1-phthalazin-1-yl-10H-phenoxazine
SMILESc1ccc2c(c1)Nc1c(cccc1-c1nncc3ccccc13)O2
InChIInChI=1S/C20H13N3O/c1-2-7-14-13(6-1)12-21-23-19(14)15-8-5-11-18-20(15)22-16-9-3-4-10-17(16)24-18/h1-12,22H
InChIKeyCAIRHNNABIFJOJ-UHFFFAOYSA-N
XLogP5.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.34
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(5,6,7,8,9,10-Hexahydrocycloocta[d]pyridazin-4-yl)phenyl]phenoxazine
CID 168331078
1-pyridin-2-yl-10H-phenoxazine
CID 22146271
10-[3,5-Di(pyridazin-3-yl)phenyl]phenoxazine
CID 58251188
10-[3,5-Di(pyridazin-4-yl)phenyl]phenoxazine
CID 58251195
N-[4-[4-(cinnolin-4-ylamino)phenoxy]phenyl]cinnolin-4-amine
CID 68004299
(1Z,3Z)-4-(methylideneamino)-1-(3-phenoxazin-10-yl-5-pyridazin-3-ylphenyl)buta-1,3-dien-1-amine
CID 88966088
(1Z,3E)-4-(methylideneamino)-3-(3-phenoxazin-10-yl-5-pyridazin-4-ylphenyl)buta-1,3-dien-1-amine
CID 88966149
(1Z,3Z)-1-[3-[3-[3-[(Z)-4-iminobut-2-enimidoyl]-5-pyridazin-3-ylphenyl]-5-phenoxazin-10-ylphenyl]-5-pyridazin-3-ylphenyl]buta-1,3-diene-1,4-diamine
CID 88966152
1-(3-methyl-2-pyridinyl)-10H-phenoxazine
CID 122540457
2-methyl-1-pyridin-2-yl-10H-phenoxazine
CID 122540459
1-[4-(1-oxa-3lambda4-thiacyclohexa-3,5-dien-3-yl)phthalazin-1-yl]-10H-phenoxazine
CID 140974063
12-(3,5-Diphenylpyridazin-4-yl)benzo[a]phenoxazine
CID 145009876

Frequently Asked Questions

What is the IUPAC name of 1-phthalazin-1-yl-10H-phenoxazine?
The IUPAC name of 1-phthalazin-1-yl-10H-phenoxazine (CID 173142694) is 1-phthalazin-1-yl-10H-phenoxazine.
What is the SMILES notation for 1-phthalazin-1-yl-10H-phenoxazine?
The canonical SMILES for 1-phthalazin-1-yl-10H-phenoxazine is c1ccc2c(c1)Nc1c(cccc1-c1nncc3ccccc13)O2.
What is the InChIKey of 1-phthalazin-1-yl-10H-phenoxazine?
The InChIKey is CAIRHNNABIFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O/c1-2-7-14-13(6-1)12-21-23-19(14)15-8-5-11-18-20(15)22-16-9-3-4-10-17(16)24-18/h1-12,22H.
What are the key properties of 1-phthalazin-1-yl-10H-phenoxazine?
1-phthalazin-1-yl-10H-phenoxazine has a molecular weight of 311.34 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phthalazin-1-yl-10H-phenoxazine is sourced from PubChem (CID 173142694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).