11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole

C49H30N4S — CID 164782249

IUPAC11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
SMILESc1cc(-c2ccc(-c3c4ccccc4n4c3sc3ccccc34)cc2)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C49H30N4S/c1-3-18-37-32(12-1)14-10-21-39(37)47-50-46(51-48(52-47)40-22-11-15-33-13-2-4-19-38(33)40)36-17-9-16-35(30-36)31-26-28-34(29-27-31)45-41-20-5-6-23-42(41)53-43-24-7-8-25-44(43)54-49(45)53/h1-30H
InChIKeyGJIDKTAQAZNSCP-UHFFFAOYSA-N
MW706.87 g/mol
LogP13.13
Rot. Bonds5

About 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole

11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole (PubChem CID 164782249) has the molecular formula C49H30N4S and a molecular weight of 706.87 g/mol. Its IUPAC name is 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole.

Molecular Properties

Compound Name11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
PubChem CID164782249
Molecular FormulaC49H30N4S
Molecular Weight706.87 g/mol
Exact Mass706.22
IUPAC Name11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
SMILESc1cc(-c2ccc(-c3c4ccccc4n4c3sc3ccccc34)cc2)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1
InChIInChI=1S/C49H30N4S/c1-3-18-37-32(12-1)14-10-21-39(37)47-50-46(51-48(52-47)40-22-11-15-33-13-2-4-19-38(33)40)36-17-9-16-35(30-36)31-26-28-34(29-27-31)45-41-20-5-6-23-42(41)53-43-24-7-8-25-44(43)54-49(45)53/h1-30H
InChIKeyGJIDKTAQAZNSCP-UHFFFAOYSA-N
XLogP13.13
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 513.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11-[3-[4-(2,6-dinaphthalen-1-ylpyrimidin-4-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782396
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-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782301
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-[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
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-naphthalen-1-ylindolo[2,1-b][1,3]benzothiazole
CID 164782437
N-(4-naphthalen-1-ylphenyl)-11-phenyl-N-(4-phenylphenyl)indolo[2,1-b][1,3]benzothiazol-7-amine
CID 153475734
2-naphthalen-1-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171592176
2,4-dinaphthalen-1-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171598334
11-[3-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]indolo[2,1-b][1,3]benzothiazole
CID 164782499
2-dibenzothiophen-4-yl-4-naphthalen-1-yl-6-[3-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]-1,3,5-triazine
CID 139442371
9-[2-[4-(3-dibenzothiophen-4-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]carbazole
CID 172500039

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The IUPAC name of 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) is 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole.
What is the SMILES notation for 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The canonical SMILES for 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole is c1cc(-c2ccc(-c3c4ccccc4n4c3sc3ccccc34)cc2)cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)c1.
What is the InChIKey of 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
The InChIKey is GJIDKTAQAZNSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4S/c1-3-18-37-32(12-1)14-10-21-39(37)47-50-46(51-48(52-47)40-22-11-15-33-13-2-4-19-38(33)40)36-17-9-16-35(30-36)31-26-28-34(29-27-31)45-41-20-5-6-23-42(41)53-43-24-7-8-25-44(43)54-49(45)53/h1-30H.
What are the key properties of 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole?
11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole has a molecular weight of 706.87 g/mol, XLogP of 13.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]phenyl]indolo[2,1-b][1,3]benzothiazole is sourced from PubChem (CID 164782249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).