10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine

C36H22N4O2 — CID 153433592

IUPAC10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine
SMILES[C-]#[N+]c1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1ccc(N2c3ccccc3Oc3ccccc32)nc1
InChIInChI=1S/C36H22N4O2/c1-37-27-20-19-25(39-28-10-2-6-14-32(28)41-33-15-7-3-11-29(33)39)22-26(27)24-18-21-36(38-23-24)40-30-12-4-8-16-34(30)42-35-17-9-5-13-31(35)40/h2-23H
InChIKeyWYSOPLJPEZWZHF-UHFFFAOYSA-N
MW542.60 g/mol
LogP10.45
Rot. Bonds3

About 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine

10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine (PubChem CID 153433592) has the molecular formula C36H22N4O2 and a molecular weight of 542.60 g/mol. Its IUPAC name is 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine.

Molecular Properties

Compound Name10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine
PubChem CID153433592
Molecular FormulaC36H22N4O2
Molecular Weight542.60 g/mol
Exact Mass542.17
IUPAC Name10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine
SMILES[C-]#[N+]c1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1ccc(N2c3ccccc3Oc3ccccc32)nc1
InChIInChI=1S/C36H22N4O2/c1-37-27-20-19-25(39-28-10-2-6-14-32(28)41-33-15-7-3-11-29(33)39)22-26(27)24-18-21-36(38-23-24)40-30-12-4-8-16-34(30)42-35-17-9-5-13-31(35)40/h2-23H
InChIKeyWYSOPLJPEZWZHF-UHFFFAOYSA-N
XLogP10.45
TPSA42.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.60
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
[4-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]benzoyl]phenyl]-[4-[3-(6-phenoxazin-10-yl-3-pyridinyl)carbazol-9-yl]phenyl]methanone
CID 162785786
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
CID 58251164
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-(3,5-diisocyanophenyl)phenoxazine
CID 159346835
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
CID 129073049
4-carbazol-9-yl-5-[4-carbazol-9-yl-6-(9,9-dimethylacridin-10-yl)-3-pyridinyl]-2-(9,9-dimethylacridin-10-yl)benzonitrile;2-(9,9-dimethylacridin-10-yl)-5-[4-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;4-(9,9-dimethylacridin-10-yl)-3-[6-(9,9-dimethylacridin-10-yl)-3-pyridinyl]benzonitrile;10-[5-[5-(9,9-dimethylacridin-10-yl)-2-isocyanophenyl]-2-pyridinyl]-9,9-dimethylacridine
CID 160909122
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-[3-[3-(3-phenoxazin-10-ylphenyl)-[1]benzofuro[2,3-b]pyridin-6-yl]phenyl]phenoxazine
CID 130354404
10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
CID 122433785
10-[2-(2-isocyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-4-pyridinyl]spiro[acridine-9,9'-fluorene]
CID 153433639

Frequently Asked Questions

What is the IUPAC name of 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine?
The IUPAC name of 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine (CID 153433592) is 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine.
What is the SMILES notation for 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine?
The canonical SMILES for 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine is [C-]#[N+]c1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1ccc(N2c3ccccc3Oc3ccccc32)nc1.
What is the InChIKey of 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine?
The InChIKey is WYSOPLJPEZWZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2/c1-37-27-20-19-25(39-28-10-2-6-14-32(28)41-33-15-7-3-11-29(33)39)22-26(27)24-18-21-36(38-23-24)40-30-12-4-8-16-34(30)42-35-17-9-5-13-31(35)40/h2-23H.
What are the key properties of 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine?
10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine has a molecular weight of 542.60 g/mol, XLogP of 10.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-(2-isocyano-5-phenoxazin-10-ylphenyl)-2-pyridinyl]phenoxazine is sourced from PubChem (CID 153433592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).