N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine

C57H36N4OS — CID 176818428

IUPACN-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7ccc(N(c8ccccc8)c8cccc9sc%10ccccc%10c89)cc7)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C57H36N4OS/c1-4-14-37(15-5-1)38-26-28-41(29-27-38)56-58-55(40-16-6-2-7-17-40)59-57(60-56)47-21-12-23-49-53(47)45-35-32-42(36-50(45)62-49)39-30-33-44(34-31-39)61(43-18-8-3-9-19-43)48-22-13-25-52-54(48)46-20-10-11-24-51(46)63-52/h1-36H
InChIKeyZLIXZFLWVBOIIN-UHFFFAOYSA-N
MW825.01 g/mol
LogP15.94
Rot. Bonds8

About N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine

N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine (PubChem CID 176818428) has the molecular formula C57H36N4OS and a molecular weight of 825.01 g/mol. Its IUPAC name is N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
PubChem CID176818428
Molecular FormulaC57H36N4OS
Molecular Weight825.01 g/mol
Exact Mass824.26
IUPAC NameN-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7ccc(N(c8ccccc8)c8cccc9sc%10ccccc%10c89)cc7)ccc6c45)n3)cc2)cc1
InChIInChI=1S/C57H36N4OS/c1-4-14-37(15-5-1)38-26-28-41(29-27-38)56-58-55(40-16-6-2-7-17-40)59-57(60-56)47-21-12-23-49-53(47)45-35-32-42(36-50(45)62-49)39-30-33-44(34-31-39)61(43-18-8-3-9-19-43)48-22-13-25-52-54(48)46-20-10-11-24-51(46)63-52/h1-36H
InChIKeyZLIXZFLWVBOIIN-UHFFFAOYSA-N
XLogP15.94
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.01
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
CID 171597017
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597205
N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176854061
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383591
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 171414981
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine?
The IUPAC name of N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine (CID 176818428) is N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine.
What is the SMILES notation for N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine?
The canonical SMILES for N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7ccc(N(c8ccccc8)c8cccc9sc%10ccccc%10c89)cc7)ccc6c45)n3)cc2)cc1.
What is the InChIKey of N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine?
The InChIKey is ZLIXZFLWVBOIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4OS/c1-4-14-37(15-5-1)38-26-28-41(29-27-38)56-58-55(40-16-6-2-7-17-40)59-57(60-56)47-21-12-23-49-53(47)45-35-32-42(36-50(45)62-49)39-30-33-44(34-31-39)61(43-18-8-3-9-19-43)48-22-13-25-52-54(48)46-20-10-11-24-51(46)63-52/h1-36H.
What are the key properties of N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine?
N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine has a molecular weight of 825.01 g/mol, XLogP of 15.94, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine is sourced from PubChem (CID 176818428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).