N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine

C51H31N5S2 — CID 171727074

IUPACN-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H31N5S2/c1-3-15-33(16-4-1)55-41-24-10-7-19-35(41)37-22-13-23-39(48(37)55)50-52-49(32-29-30-45-40(31-32)36-20-8-11-26-43(36)57-45)53-51(54-50)56(34-17-5-2-6-18-34)42-25-14-28-46-47(42)38-21-9-12-27-44(38)58-46/h1-31H
InChIKeyRKFXCRXBRHEXGR-UHFFFAOYSA-N
MW777.98 g/mol
LogP14.51
Rot. Bonds6

About N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine

N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 171727074) has the molecular formula C51H31N5S2 and a molecular weight of 777.98 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID171727074
Molecular FormulaC51H31N5S2
Molecular Weight777.98 g/mol
Exact Mass777.20
IUPAC NameN-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c2cccc3sc4ccccc4c23)cc1
InChIInChI=1S/C51H31N5S2/c1-3-15-33(16-4-1)55-41-24-10-7-19-35(41)37-22-13-23-39(48(37)55)50-52-49(32-29-30-45-40(31-32)36-20-8-11-26-43(36)57-45)53-51(54-50)56(34-17-5-2-6-18-34)42-25-14-28-46-47(42)38-21-9-12-27-44(38)58-46/h1-31H
InChIKeyRKFXCRXBRHEXGR-UHFFFAOYSA-N
XLogP14.51
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.98
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171726969
1-(4-dibenzothiophen-2-yl-6-dibenzothiophen-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170132368
1-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)carbazol-9-yl]-9-phenylcarbazole
CID 168807762
9-[4-(4-dibenzothiophen-1-yl-6-dibenzothiophen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 170534530
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727071
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-(9-phenylcarbazol-1-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727168
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine
CID 171726917
N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727030
N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 165000250
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-2-amine;N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 164995259
1-[4-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 146648774
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine (CID 171727074) is N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine is c1ccc(N(c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c2cccc3sc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is RKFXCRXBRHEXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5S2/c1-3-15-33(16-4-1)55-41-24-10-7-19-35(41)37-22-13-23-39(48(37)55)50-52-49(32-29-30-45-40(31-32)36-20-8-11-26-43(36)57-45)53-51(54-50)56(34-17-5-2-6-18-34)42-25-14-28-46-47(42)38-21-9-12-27-44(38)58-46/h1-31H.
What are the key properties of N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 777.98 g/mol, XLogP of 14.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-4-dibenzothiophen-2-yl-N-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).