10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide

C36H23N3O2S2 — CID 146533816

IUPAC10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc3cc(-c4nsc(-c5cccc(-c6ccccc6)c5)n4)ccc3c2)c2ccccc21
InChIInChI=1S/C36H23N3O2S2/c40-43(41)33-15-6-4-13-31(33)39(32-14-5-7-16-34(32)43)30-20-19-26-21-28(18-17-27(26)23-30)35-37-36(42-38-35)29-12-8-11-25(22-29)24-9-2-1-3-10-24/h1-23H
InChIKeyKUMJMDTZAXVPHG-UHFFFAOYSA-N
MW593.73 g/mol
LogP9.31
Rot. Bonds4

About 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide

10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide (PubChem CID 146533816) has the molecular formula C36H23N3O2S2 and a molecular weight of 593.73 g/mol. Its IUPAC name is 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide.

Molecular Properties

Compound Name10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide
PubChem CID146533816
Molecular FormulaC36H23N3O2S2
Molecular Weight593.73 g/mol
Exact Mass593.12
IUPAC Name10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide
SMILESO=S1(=O)c2ccccc2N(c2ccc3cc(-c4nsc(-c5cccc(-c6ccccc6)c5)n4)ccc3c2)c2ccccc21
InChIInChI=1S/C36H23N3O2S2/c40-43(41)33-15-6-4-13-31(33)39(32-14-5-7-16-34(32)43)30-20-19-26-21-28(18-17-27(26)23-30)35-37-36(42-38-35)29-12-8-11-25(22-29)24-9-2-1-3-10-24/h1-23H
InChIKeyKUMJMDTZAXVPHG-UHFFFAOYSA-N
XLogP9.31
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-[4-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]phenyl]phenothiazine 5,5-dioxide
CID 146533671
10-[4-(5-naphthalen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]-3,7-diphenylphenoxazine
CID 146533940
10-naphthalen-2-ylphenothiazine 5,5-dioxide
CID 141391078
3,5-bis[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]-1,2,4-thiadiazole
CID 146534120
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
10-[4-(5-anthracen-2-yl-1,2,4-thiadiazol-3-yl)phenyl]phenoxazine
CID 146533799
3-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-phenyl-1,2,4-thiadiazole
CID 121245061
3,5-bis(9,9-dimethyl-10-phenylacridin-3-yl)-1,2,4-thiadiazole
CID 146534121
10-(4-tert-butylphenyl)-2-(5-phenyl-1,2,4-thiadiazol-3-yl)phenothiazine
CID 146533656
ethane;2-fluoro-5-[3-(5-phenyl-1,2,4-thiadiazol-3-yl)phenyl]benzoic acid
CID 144977351
10-[3-[4-[3-(9,9-dimethylfluoren-3-yl)-1,2,4-thiadiazol-5-yl]phenyl]phenyl]phenoxazine
CID 146533923
2-[3-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139339089

Frequently Asked Questions

What is the IUPAC name of 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide?
The IUPAC name of 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide (CID 146533816) is 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide.
What is the SMILES notation for 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide?
The canonical SMILES for 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide is O=S1(=O)c2ccccc2N(c2ccc3cc(-c4nsc(-c5cccc(-c6ccccc6)c5)n4)ccc3c2)c2ccccc21.
What is the InChIKey of 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide?
The InChIKey is KUMJMDTZAXVPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O2S2/c40-43(41)33-15-6-4-13-31(33)39(32-14-5-7-16-34(32)43)30-20-19-26-21-28(18-17-27(26)23-30)35-37-36(42-38-35)29-12-8-11-25(22-29)24-9-2-1-3-10-24/h1-23H.
What are the key properties of 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide?
10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide has a molecular weight of 593.73 g/mol, XLogP of 9.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-[5-(3-phenylphenyl)-1,2,4-thiadiazol-3-yl]naphthalen-2-yl]phenothiazine 5,5-dioxide is sourced from PubChem (CID 146533816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).