10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine

C42H25N3OS2 — CID 146533946

IUPAC10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4ccccc4c3)ccc1N2c1ccc(-c2nsc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C42H25N3OS2/c1-2-8-28-23-29(14-13-26(28)7-1)30-18-22-36-38(24-30)46-37-11-5-4-10-35(37)45(36)32-19-15-27(16-20-32)41-43-42(48-44-41)31-17-21-34-33-9-3-6-12-39(33)47-40(34)25-31/h1-25H
InChIKeyLNHHQTXWKVZTQX-UHFFFAOYSA-N
MW651.82 g/mol
LogP12.64
Rot. Bonds4

About 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine

10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine (PubChem CID 146533946) has the molecular formula C42H25N3OS2 and a molecular weight of 651.82 g/mol. Its IUPAC name is 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine.

Molecular Properties

Compound Name10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine
PubChem CID146533946
Molecular FormulaC42H25N3OS2
Molecular Weight651.82 g/mol
Exact Mass651.14
IUPAC Name10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine
SMILESc1ccc2c(c1)Oc1cc(-c3ccc4ccccc4c3)ccc1N2c1ccc(-c2nsc(-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C42H25N3OS2/c1-2-8-28-23-29(14-13-26(28)7-1)30-18-22-36-38(24-30)46-37-11-5-4-10-35(37)45(36)32-19-15-27(16-20-32)41-43-42(48-44-41)31-17-21-34-33-9-3-6-12-39(33)47-40(34)25-31/h1-25H
InChIKeyLNHHQTXWKVZTQX-UHFFFAOYSA-N
XLogP12.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.82
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
CID 146533799
10-(4-dibenzothiophen-2-ylphenyl)-3,7-dimethylphenoxazine;10-(4-dibenzothiophen-2-ylphenyl)-3,7-diphenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-methyl-7-phenylphenoxazine;10-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)phenoxazine
CID 160540882
3-[4-(8-oxa-21-azapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaen-21-yl)phenyl]thioxanthen-9-one
CID 121420443
10-dibenzothiophen-3-yl-N-(3-phenylphenyl)-N-(4-phenylphenyl)phenoxazin-3-amine
CID 164811783
10-(3,5-dinaphthalen-2-ylphenyl)phenoxazine
CID 58251173
2-(8-methyldibenzothiophen-3-yl)-10-[4-(3-pyren-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
CID 146533991
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 162504462
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-dibenzofuran-3-yl-4-dibenzothiophen-3-yl-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 154934275
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
2-dibenzothiophen-3-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845041

Frequently Asked Questions

What is the IUPAC name of 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine?
The IUPAC name of 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine (CID 146533946) is 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine.
What is the SMILES notation for 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine?
The canonical SMILES for 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine is c1ccc2c(c1)Oc1cc(-c3ccc4ccccc4c3)ccc1N2c1ccc(-c2nsc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine?
The InChIKey is LNHHQTXWKVZTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3OS2/c1-2-8-28-23-29(14-13-26(28)7-1)30-18-22-36-38(24-30)46-37-11-5-4-10-35(37)45(36)32-19-15-27(16-20-32)41-43-42(48-44-41)31-17-21-34-33-9-3-6-12-39(33)47-40(34)25-31/h1-25H.
What are the key properties of 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine?
10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine has a molecular weight of 651.82 g/mol, XLogP of 12.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5-dibenzothiophen-3-yl-1,2,4-thiadiazol-3-yl)phenyl]-3-naphthalen-2-ylphenoxazine is sourced from PubChem (CID 146533946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).