10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine

C34H21N3OS — CID 146533799

IUPAC10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nsc(-c3ccc4cc5ccccc5cc4c3)n2)cc1
InChIInChI=1S/C34H21N3OS/c1-2-8-24-20-27-21-26(14-13-25(27)19-23(24)7-1)34-35-33(36-39-34)22-15-17-28(18-16-22)37-29-9-3-5-11-31(29)38-32-12-6-4-10-30(32)37/h1-21H
InChIKeyQNRZNNPISLPCDT-UHFFFAOYSA-N
MW519.63 g/mol
LogP9.75
Rot. Bonds3

About 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine

10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine (PubChem CID 146533799) has the molecular formula C34H21N3OS and a molecular weight of 519.63 g/mol. Its IUPAC name is 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
PubChem CID146533799
Molecular FormulaC34H21N3OS
Molecular Weight519.63 g/mol
Exact Mass519.14
IUPAC Name10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nsc(-c3ccc4cc5ccccc5cc4c3)n2)cc1
InChIInChI=1S/C34H21N3OS/c1-2-8-24-20-27-21-26(14-13-25(27)19-23(24)7-1)34-35-33(36-39-34)22-15-17-28(18-16-22)37-29-9-3-5-11-31(29)38-32-12-6-4-10-30(32)37/h1-21H
InChIKeyQNRZNNPISLPCDT-UHFFFAOYSA-N
XLogP9.75
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.63
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
CID 146533940
10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine
CID 146533946
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
CID 146533671
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
CID 146533923
10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide
CID 146533816
3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
CID 146534121
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine (CID 146533799) is 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nsc(-c3ccc4cc5ccccc5cc4c3)n2)cc1.
What is the InChIKey of 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine?
The InChIKey is QNRZNNPISLPCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N3OS/c1-2-8-24-20-27-21-26(14-13-25(27)19-23(24)7-1)34-35-33(36-39-34)22-15-17-28(18-16-22)37-29-9-3-5-11-31(29)38-32-12-6-4-10-30(32)37/h1-21H.
What are the key properties of 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine?
10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine has a molecular weight of 519.63 g/mol, XLogP of 9.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine is sourced from PubChem (CID 146533799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).