10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine

C49H32N4S — CID 156551092

IUPAC10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(N6c7ccccc7Sc7ccccc76)c5)cc5ccccc45)c3)n2)cc1
InChIInChI=1S/C49H32N4S/c1-3-15-33(16-4-1)47-50-48(34-17-5-2-6-18-34)52-49(51-47)38-22-13-21-37(29-38)42-32-39(30-36-19-7-8-24-41(36)42)35-20-14-23-40(31-35)53-43-25-9-11-27-45(43)54-46-28-12-10-26-44(46)53/h1-32H
InChIKeyBPIPXAGAFNUQAK-UHFFFAOYSA-N
MW708.89 g/mol
LogP13.29
Rot. Bonds6

About 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine

10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine (PubChem CID 156551092) has the molecular formula C49H32N4S and a molecular weight of 708.89 g/mol. Its IUPAC name is 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine.

Molecular Properties

Compound Name10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine
PubChem CID156551092
Molecular FormulaC49H32N4S
Molecular Weight708.89 g/mol
Exact Mass708.23
IUPAC Name10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(N6c7ccccc7Sc7ccccc76)c5)cc5ccccc45)c3)n2)cc1
InChIInChI=1S/C49H32N4S/c1-3-15-33(16-4-1)47-50-48(34-17-5-2-6-18-34)52-49(51-47)38-22-13-21-37(29-38)42-32-39(30-36-19-7-8-24-41(36)42)35-20-14-23-40(31-35)53-43-25-9-11-27-45(43)54-46-28-12-10-26-44(46)53/h1-32H
InChIKeyBPIPXAGAFNUQAK-UHFFFAOYSA-N
XLogP13.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
3-naphthalen-2-yl-10-[3-[3-(3-naphthalen-1-ylphenyl)-1,2,4-thiadiazol-5-yl]phenyl]phenothiazine
CID 146533825
2,4-diphenyl-6-[3-[3-(3-pyridin-3-ylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 165168264
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881
2-(4,6-diphenylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730921
2-(4-naphthalen-1-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730897
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
10-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine;10-[3-[3-(2,6-diphenylpyrimidin-4-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 159416067
2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
5-[4-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]naphthalen-2-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118517585

Frequently Asked Questions

What is the IUPAC name of 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine?
The IUPAC name of 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine (CID 156551092) is 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine.
What is the SMILES notation for 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine?
The canonical SMILES for 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cccc(N6c7ccccc7Sc7ccccc76)c5)cc5ccccc45)c3)n2)cc1.
What is the InChIKey of 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine?
The InChIKey is BPIPXAGAFNUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N4S/c1-3-15-33(16-4-1)47-50-48(34-17-5-2-6-18-34)52-49(51-47)38-22-13-21-37(29-38)42-32-39(30-36-19-7-8-24-41(36)42)35-20-14-23-40(31-35)53-43-25-9-11-27-45(43)54-46-28-12-10-26-44(46)53/h1-32H.
What are the key properties of 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine?
10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine has a molecular weight of 708.89 g/mol, XLogP of 13.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine is sourced from PubChem (CID 156551092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).