12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine

C32H21N3O — CID 145009876

IUPAC12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine
SMILESc1ccc(-c2cnnc(-c3ccccc3)c2N2c3ccccc3Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C32H21N3O/c1-3-11-22(12-4-1)26-21-33-34-30(24-14-5-2-6-15-24)32(26)35-27-17-9-10-18-28(27)36-29-20-19-23-13-7-8-16-25(23)31(29)35/h1-21H
InChIKeyQFLJPRMYAOEUFE-UHFFFAOYSA-N
MW463.54 g/mol
LogP8.54
Rot. Bonds3

About 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine

12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine (PubChem CID 145009876) has the molecular formula C32H21N3O and a molecular weight of 463.54 g/mol. Its IUPAC name is 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine.

Molecular Properties

Compound Name12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine
PubChem CID145009876
Molecular FormulaC32H21N3O
Molecular Weight463.54 g/mol
Exact Mass463.17
IUPAC Name12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine
SMILESc1ccc(-c2cnnc(-c3ccccc3)c2N2c3ccccc3Oc3ccc4ccccc4c32)cc1
InChIInChI=1S/C32H21N3O/c1-3-11-22(12-4-1)26-21-33-34-30(24-14-5-2-6-15-24)32(26)35-27-17-9-10-18-28(27)36-29-20-19-23-13-7-8-16-25(23)31(29)35/h1-21H
InChIKeyQFLJPRMYAOEUFE-UHFFFAOYSA-N
XLogP8.54
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.54
LogP ≤ 58.54
H-Bond Donors ≤ 50
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
3-Methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
CID 22115691
5-[[8-(4-Methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]-3-phenylpyridazine
CID 22115705
10-(4-Tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,5-b][1,4]benzoxazine
CID 59572751
10-(4-Tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyridazino[4,5-b][1,4]benzoxazine
CID 59573052
10-(4-Tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine
CID 59573305
10-(4-Tert-butyl-2,6-dimethylphenyl)-8-methylpyridazino[4,5-b][1,4]benzoxazine
CID 59573307
5-(4-Tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[3,4-b][1,4]benzoxazine
CID 59573480
3-[1,8-Bis(4-methylpiperazin-1-yl)naphthalen-2-yl]oxy-6-phenylpyridazine
CID 67693861
13-(6-Pyridin-2-yl-3-pyridinyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 122631951
13-(4-Pyridin-2-ylphenyl)-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 122631952
13-Quinolin-3-yl-2-oxa-13-azapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene
CID 122631957

Frequently Asked Questions

What is the IUPAC name of 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine?
The IUPAC name of 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine (CID 145009876) is 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine.
What is the SMILES notation for 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine?
The canonical SMILES for 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine is c1ccc(-c2cnnc(-c3ccccc3)c2N2c3ccccc3Oc3ccc4ccccc4c32)cc1.
What is the InChIKey of 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine?
The InChIKey is QFLJPRMYAOEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3O/c1-3-11-22(12-4-1)26-21-33-34-30(24-14-5-2-6-15-24)32(26)35-27-17-9-10-18-28(27)36-29-20-19-23-13-7-8-16-25(23)31(29)35/h1-21H.
What are the key properties of 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine?
12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine has a molecular weight of 463.54 g/mol, XLogP of 8.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(3,5-diphenylpyridazin-4-yl)benzo[a]phenoxazine is sourced from PubChem (CID 145009876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).