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

C55H34N4OS — CID 176854014

IUPAC1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6sc7ccccc7c56)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C55H34N4OS/c1-3-14-35(15-4-1)37-28-30-41(31-29-37)59(40-18-5-2-6-19-40)42-33-46(51-43-20-9-11-23-47(43)60-48(51)34-42)55-57-53(39-27-26-36-16-7-8-17-38(36)32-39)56-54(58-55)45-22-13-25-50-52(45)44-21-10-12-24-49(44)61-50/h1-34H
InChIKeyXLAHZQMRZAFQGL-UHFFFAOYSA-N
MW798.97 g/mol
LogP15.43
Rot. Bonds7

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

1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 176854014) has the molecular formula C55H34N4OS and a molecular weight of 798.97 g/mol. Its IUPAC name is 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID176854014
Molecular FormulaC55H34N4OS
Molecular Weight798.97 g/mol
Exact Mass798.25
IUPAC Name1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6sc7ccccc7c56)n4)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C55H34N4OS/c1-3-14-35(15-4-1)37-28-30-41(31-29-37)59(40-18-5-2-6-19-40)42-33-46(51-43-20-9-11-23-47(43)60-48(51)34-42)55-57-53(39-27-26-36-16-7-8-17-38(36)32-39)56-54(58-55)45-22-13-25-50-52(45)44-21-10-12-24-49(44)61-50/h1-34H
InChIKeyXLAHZQMRZAFQGL-UHFFFAOYSA-N
XLogP15.43
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.97
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853769
N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853583
N-dibenzothiophen-2-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853433
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-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176854061
1-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-N,N-diphenyldibenzofuran-3-amine
CID 166974607
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775174
2-(7-dibenzofuran-1-ylnaphthalen-2-yl)-4-dibenzothiophen-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741718
N-dibenzofuran-2-yl-1-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853565
2-dibenzothiophen-1-yl-4-naphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166743486

Frequently Asked Questions

What is the IUPAC name of 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 176854014) is 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2ccc(N(c3ccccc3)c3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6sc7ccccc7c56)n4)c4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is XLAHZQMRZAFQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4OS/c1-3-14-35(15-4-1)37-28-30-41(31-29-37)59(40-18-5-2-6-19-40)42-33-46(51-43-20-9-11-23-47(43)60-48(51)34-42)55-57-53(39-27-26-36-16-7-8-17-38(36)32-39)56-54(58-55)45-22-13-25-50-52(45)44-21-10-12-24-49(44)61-50/h1-34H.
What are the key properties of 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine?
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 798.97 g/mol, XLogP of 15.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 176854014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).