10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine

C38H23N3S2 — CID 146533608

IUPAC10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine
SMILESc1ccc(N2c3ccccc3Sc3c(-c4nsc(-c5cccc6c7ccccc7c7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C38H23N3S2/c1-2-12-24(13-3-1)41-32-21-8-9-23-34(32)42-36-31(20-11-22-33(36)41)37-39-38(43-40-37)30-19-10-18-29-27-15-5-4-14-25(27)26-16-6-7-17-28(26)35(29)30/h1-23H
InChIKeySCFNGCDPIMXNGH-UHFFFAOYSA-N
MW585.76 g/mol
LogP11.27
Rot. Bonds3

About 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine

10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine (PubChem CID 146533608) has the molecular formula C38H23N3S2 and a molecular weight of 585.76 g/mol. Its IUPAC name is 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine.

Molecular Properties

Compound Name10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine
PubChem CID146533608
Molecular FormulaC38H23N3S2
Molecular Weight585.76 g/mol
Exact Mass585.13
IUPAC Name10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine
SMILESc1ccc(N2c3ccccc3Sc3c(-c4nsc(-c5cccc6c7ccccc7c7ccccc7c56)n4)cccc32)cc1
InChIInChI=1S/C38H23N3S2/c1-2-12-24(13-3-1)41-32-21-8-9-23-34(32)42-36-31(20-11-22-33(36)41)37-39-38(43-40-37)30-19-10-18-29-27-15-5-4-14-25(27)26-16-6-7-17-28(26)35(29)30/h1-23H
InChIKeySCFNGCDPIMXNGH-UHFFFAOYSA-N
XLogP11.27
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.76
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoranthen-7-yl-1,2,4-thiadiazol-5-yl)-10-naphthalen-1-ylphenothiazine
CID 146533607
3-dibenzofuran-4-yl-10-[3-(3-dibenzofuran-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
CID 146533985
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
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
14-phenyl-9-triphenylen-1-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 121400632
8-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-5-phenylindolo[2,3-c]phenothiazine
CID 138564686
10-(4-tert-butylphenyl)-2-(5-phenyl-1,2,4-thiadiazol-3-yl)phenothiazine
CID 146533656
10-(10-phenothiazin-10-ylperylen-3-yl)phenothiazine
CID 20710028
2-(8-methyldibenzothiophen-3-yl)-10-[4-(3-pyren-4-yl-1,2,4-thiadiazol-5-yl)phenyl]phenothiazine
CID 146533991
14-phenyl-4-triphenylen-1-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 121400651
10-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 118528475
9-[10-(4-phenylphenyl)phenothiazin-2-yl]-7-triphenylen-2-ylbenzo[c]phenothiazine
CID 155791240

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine?
The IUPAC name of 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine (CID 146533608) is 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine.
What is the SMILES notation for 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine?
The canonical SMILES for 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine is c1ccc(N2c3ccccc3Sc3c(-c4nsc(-c5cccc6c7ccccc7c7ccccc7c56)n4)cccc32)cc1.
What is the InChIKey of 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine?
The InChIKey is SCFNGCDPIMXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3S2/c1-2-12-24(13-3-1)41-32-21-8-9-23-34(32)42-36-31(20-11-22-33(36)41)37-39-38(43-40-37)30-19-10-18-29-27-15-5-4-14-25(27)26-16-6-7-17-28(26)35(29)30/h1-23H.
What are the key properties of 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine?
10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine has a molecular weight of 585.76 g/mol, XLogP of 11.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-4-(5-triphenylen-1-yl-1,2,4-thiadiazol-3-yl)phenothiazine is sourced from PubChem (CID 146533608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).