2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole

C52H32N6S — CID 166583370

IUPAC2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8nc(-c9ccccc9)sc78)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H32N6S/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-54-49(35-17-6-2-7-18-35)55-52(56-50)58-44-25-13-11-22-39(44)41-32-31-40-38-21-10-12-24-43(38)57(46(40)47(41)58)45-26-14-23-42-48(45)59-51(53-42)37-19-8-3-9-20-37/h1-32H
InChIKeyFKQRXUVUDIBLTI-UHFFFAOYSA-N
MW772.94 g/mol
LogP13.34
Rot. Bonds6

About 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole

2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole (PubChem CID 166583370) has the molecular formula C52H32N6S and a molecular weight of 772.94 g/mol. Its IUPAC name is 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole
PubChem CID166583370
Molecular FormulaC52H32N6S
Molecular Weight772.94 g/mol
Exact Mass772.24
IUPAC Name2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8nc(-c9ccccc9)sc78)c6c54)n3)cc2)cc1
InChIInChI=1S/C52H32N6S/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-54-49(35-17-6-2-7-18-35)55-52(56-50)58-44-25-13-11-22-39(44)41-32-31-40-38-21-10-12-24-43(38)57(46(40)47(41)58)45-26-14-23-42-48(45)59-51(53-42)37-19-8-3-9-20-37/h1-32H
InChIKeyFKQRXUVUDIBLTI-UHFFFAOYSA-N
XLogP13.34
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.94
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[12-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]-2-phenyl-1,3-benzothiazole
CID 166583297
7-[4-(4-naphthalen-2-ylphenyl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzothiazole
CID 166582930
2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzoxazole
CID 166583428
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-naphthalen-1-ylindolo[2,3-a]carbazole
CID 138623523
2-[11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzothiazole
CID 166582993
11-[2-(3,5-diphenylphenyl)phenyl]-12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazole
CID 175627738
2-chloro-4,6-diphenyl-1,3,5-triazine;10-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole;2-phenyl-10H-[1,3]thiazolo[5,4-a]carbazole
CID 158691186
12-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 156556541
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-[2-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 175627106
11-[2-[3-(3-phenylphenyl)phenyl]phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 175616505
7-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-2,10-diphenyl-[1,3]thiazolo[5,4-a]carbazole
CID 144788222
2-[2-[12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-yl]phenyl]-1,3-benzothiazole
CID 166583027

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole?
The IUPAC name of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole (CID 166583370) is 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole?
The canonical SMILES for 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cccc8nc(-c9ccccc9)sc78)c6c54)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole?
The InChIKey is FKQRXUVUDIBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N6S/c1-4-15-33(16-5-1)34-27-29-36(30-28-34)50-54-49(35-17-6-2-7-18-35)55-52(56-50)58-44-25-13-11-22-39(44)41-32-31-40-38-21-10-12-24-43(38)57(46(40)47(41)58)45-26-14-23-42-48(45)59-51(53-42)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole?
2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole has a molecular weight of 772.94 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]-1,3-benzothiazole is sourced from PubChem (CID 166583370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).