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

C52H30N6S2 — CID 166583027

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6nc7ccccc7s6)c5c43)n2)cc1
InChIInChI=1S/C52H30N6S2/c1-2-14-31(15-3-1)49-54-50(32-26-29-45-39(30-32)35-18-7-12-24-44(35)59-45)56-52(55-49)58-42-22-10-5-17-34(42)37-28-27-36-33-16-4-9-21-41(33)57(47(36)48(37)58)43-23-11-6-19-38(43)51-53-40-20-8-13-25-46(40)60-51/h1-30H
InChIKeyHQNUEZFINWPBPW-UHFFFAOYSA-N
MW802.99 g/mol
LogP14.04
Rot. Bonds5

About 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

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 (PubChem CID 166583027) has the molecular formula C52H30N6S2 and a molecular weight of 802.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID166583027
Molecular FormulaC52H30N6S2
Molecular Weight802.99 g/mol
Exact Mass802.20
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6nc7ccccc7s6)c5c43)n2)cc1
InChIInChI=1S/C52H30N6S2/c1-2-14-31(15-3-1)49-54-50(32-26-29-45-39(30-32)35-18-7-12-24-44(35)59-45)56-52(55-49)58-42-22-10-5-17-34(42)37-28-27-36-33-16-4-9-21-41(33)57(47(36)48(37)58)43-23-11-6-19-38(43)51-53-40-20-8-13-25-46(40)60-51/h1-30H
InChIKeyHQNUEZFINWPBPW-UHFFFAOYSA-N
XLogP14.04
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.99
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[2-[1-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(2-methylphenyl)carbazol-1-yl]ethyl]phenyl]-1,3-benzothiazole
CID 174273120
9-(2-dibenzothiophen-2-ylphenyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 171438015
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,4-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165397
12-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11-[3-(3-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 165165566
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165480
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 134168913
2-carbazol-9-yl-9-[2-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 146179594
9-[4-[8-[2-carbazol-9-yl-5-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-1-phenylcarbazole
CID 139303270
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
12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole;12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;7-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 163544505
2-[6-[4-phenyl-6-(2-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-1,3-benzothiazole
CID 146513232
9-[2-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)phenyl]-3-phenylcarbazole
CID 170534418

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6-c6nc7ccccc7s6)c5c43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is HQNUEZFINWPBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N6S2/c1-2-14-31(15-3-1)49-54-50(32-26-29-45-39(30-32)35-18-7-12-24-44(35)59-45)56-52(55-49)58-42-22-10-5-17-34(42)37-28-27-36-33-16-4-9-21-41(33)57(47(36)48(37)58)43-23-11-6-19-38(43)51-53-40-20-8-13-25-46(40)60-51/h1-30H.
What are the key properties of 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?
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 has a molecular weight of 802.99 g/mol, XLogP of 14.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166583027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).