11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole

C51H32N4S — CID 164782197

IUPAC11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5c6cccc(-c7ccccc7)c6n6c5sc5ccccc56)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C51H32N4S/c1-4-15-33(16-5-1)39-23-14-24-43-46(51-55(47(39)43)44-25-12-13-26-45(44)56-51)42-32-31-38(40-21-10-11-22-41(40)42)34-27-29-37(30-28-34)50-53-48(35-17-6-2-7-18-35)52-49(54-50)36-19-8-3-9-20-36/h1-32H
InChIKeyPLYYBVTTWOVFKJ-UHFFFAOYSA-N
MW732.91 g/mol
LogP13.65
Rot. Bonds6

About 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole

11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole (PubChem CID 164782197) has the molecular formula C51H32N4S and a molecular weight of 732.91 g/mol. Its IUPAC name is 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole
PubChem CID164782197
Molecular FormulaC51H32N4S
Molecular Weight732.91 g/mol
Exact Mass732.23
IUPAC Name11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5c6cccc(-c7ccccc7)c6n6c5sc5ccccc56)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C51H32N4S/c1-4-15-33(16-5-1)39-23-14-24-43-46(51-55(47(39)43)44-25-12-13-26-45(44)56-51)42-32-31-38(40-21-10-11-22-41(40)42)34-27-29-37(30-28-34)50-53-48(35-17-6-2-7-18-35)52-49(54-50)36-19-8-3-9-20-36/h1-32H
InChIKeyPLYYBVTTWOVFKJ-UHFFFAOYSA-N
XLogP13.65
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782495
11-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782301
11-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782376
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-1-ylindolo[2,1-b][1,3]benzothiazole
CID 164782437
11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782249
11-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole;11-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 165071486
2,4-bis(4-dibenzothiophen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 139304432
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]-1,3,5-triazine
CID 139441835
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
2-[4-[4-(4-dibenzothiophen-1-ylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942599
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
9-[4-[4-[4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-1-yl]phenyl]carbazole
CID 176632540

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole?
The IUPAC name of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole (CID 164782197) is 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5c6cccc(-c7ccccc7)c6n6c5sc5ccccc56)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole?
The InChIKey is PLYYBVTTWOVFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4S/c1-4-15-33(16-5-1)39-23-14-24-43-46(51-55(47(39)43)44-25-12-13-26-45(44)56-51)42-32-31-38(40-21-10-11-22-41(40)42)34-27-29-37(30-28-34)50-53-48(35-17-6-2-7-18-35)52-49(54-50)36-19-8-3-9-20-36/h1-32H.
What are the key properties of 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole?
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole has a molecular weight of 732.91 g/mol, XLogP of 13.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]-4-phenylindolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 164782197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).