4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine

C40H23N3S2 — CID 146533607

IUPAC4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine
SMILESc1ccc2c(c1)Sc1c(-c3nc(-c4cccc5c4-c4cccc6cccc-5c46)ns3)cccc1N2c1cccc2ccccc12
InChIInChI=1S/C40H23N3S2/c1-2-14-26-24(10-1)11-7-21-32(26)43-33-20-3-4-23-35(33)44-38-31(19-9-22-34(38)43)40-41-39(42-45-40)30-18-8-16-28-27-15-5-12-25-13-6-17-29(36(25)27)37(28)30/h1-23H
InChIKeyLAWNBYCLPICMEW-UHFFFAOYSA-N
MW609.78 g/mol
LogP11.76
Rot. Bonds3

About 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine

4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine (PubChem CID 146533607) has the molecular formula C40H23N3S2 and a molecular weight of 609.78 g/mol. Its IUPAC name is 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine.

Molecular Properties

Compound Name4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine
PubChem CID146533607
Molecular FormulaC40H23N3S2
Molecular Weight609.78 g/mol
Exact Mass609.13
IUPAC Name4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine
SMILESc1ccc2c(c1)Sc1c(-c3nc(-c4cccc5c4-c4cccc6cccc-5c46)ns3)cccc1N2c1cccc2ccccc12
InChIInChI=1S/C40H23N3S2/c1-2-14-26-24(10-1)11-7-21-32(26)43-33-20-3-4-23-35(33)44-38-31(19-9-22-34(38)43)40-41-39(42-45-40)30-18-8-16-28-27-15-5-12-25-13-6-17-29(36(25)27)37(28)30/h1-23H
InChIKeyLAWNBYCLPICMEW-UHFFFAOYSA-N
XLogP11.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.78
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine
CID 146533608
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
CID 146533985
5-phenanthren-4-yl-3-(3-phenylphenyl)-1,2,4-thiadiazole
CID 146533913
10-(10-phenothiazin-10-ylperylen-3-yl)phenothiazine
CID 20710028
16-(4-diphenylphosphorylphenyl)-11-phenyl-4-thia-11,16-diazahexacyclo[15.7.1.02,15.03,12.05,10.021,25]pentacosa-1(24),2(15),3(12),5,7,9,13,17,19,21(25),22-undecaene
CID 163437875
2-(8-methyldibenzothiophen-3-yl)-10-[4-(3-pyren-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
CID 146533991
10-[9-(4-naphthalen-1-ylphenyl)-6-phenothiazin-10-yl-10-phenylanthracen-2-yl]phenothiazine
CID 59220211
2-(11-phenothiazin-10-ylundecyl)benzo[de]isoquinoline-1,3-dione
CID 102387677
10-[9-(4-methylphenyl)-10-naphthalen-1-yl-6-phenothiazin-10-ylanthracen-2-yl]phenothiazine
CID 59220855
6-spiro[benzo[c]fluorene-7,9'-fluorene]-1'-yl-8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 177127749
CID 174149120
CID 174149120

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine?
The IUPAC name of 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine (CID 146533607) is 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine.
What is the SMILES notation for 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine?
The canonical SMILES for 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine is c1ccc2c(c1)Sc1c(-c3nc(-c4cccc5c4-c4cccc6cccc-5c46)ns3)cccc1N2c1cccc2ccccc12.
What is the InChIKey of 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine?
The InChIKey is LAWNBYCLPICMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23N3S2/c1-2-14-26-24(10-1)11-7-21-32(26)43-33-20-3-4-23-35(33)44-38-31(19-9-22-34(38)43)40-41-39(42-45-40)30-18-8-16-28-27-15-5-12-25-13-6-17-29(36(25)27)37(28)30/h1-23H.
What are the key properties of 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine?
4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine has a molecular weight of 609.78 g/mol, XLogP of 11.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine is sourced from PubChem (CID 146533607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).