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

C55H32N4O2S — CID 176853583

IUPACN-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5sc6ccccc6c45)n3)c3c(c2)oc2ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H32N4O2S/c1-2-16-36(17-3-1)59(44-23-12-21-39-38-18-6-9-24-45(38)61-52(39)44)37-31-43(50-40-19-7-10-25-46(40)60-47(50)32-37)55-57-53(35-29-28-33-14-4-5-15-34(33)30-35)56-54(58-55)42-22-13-27-49-51(42)41-20-8-11-26-48(41)62-49/h1-32H
InChIKeyDIFSTFQEYWELCD-UHFFFAOYSA-N
MW812.95 g/mol
LogP15.66
Rot. Bonds6

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

N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine (PubChem CID 176853583) has the molecular formula C55H32N4O2S and a molecular weight of 812.95 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
PubChem CID176853583
Molecular FormulaC55H32N4O2S
Molecular Weight812.95 g/mol
Exact Mass812.22
IUPAC NameN-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(N(c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5sc6ccccc6c45)n3)c3c(c2)oc2ccccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H32N4O2S/c1-2-16-36(17-3-1)59(44-23-12-21-39-38-18-6-9-24-45(38)61-52(39)44)37-31-43(50-40-19-7-10-25-46(40)60-47(50)32-37)55-57-53(35-29-28-33-14-4-5-15-34(33)30-35)56-54(58-55)42-22-13-27-49-51(42)41-20-8-11-26-48(41)62-49/h1-32H
InChIKeyDIFSTFQEYWELCD-UHFFFAOYSA-N
XLogP15.66
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.95
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176854061
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
N-dibenzofuran-4-yl-1-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853627
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenylnaphtho[2,3-b][1]benzofuran-3-amine
CID 169294685
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653
2-dibenzofuran-4-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166741560
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-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of 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) is N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine is c1ccc(N(c2cc(-c3nc(-c4ccc5ccccc5c4)nc(-c4cccc5sc6ccccc6c45)n3)c3c(c2)oc2ccccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The InChIKey is DIFSTFQEYWELCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O2S/c1-2-16-36(17-3-1)59(44-23-12-21-39-38-18-6-9-24-45(38)61-52(39)44)37-31-43(50-40-19-7-10-25-46(40)60-47(50)32-37)55-57-53(35-29-28-33-14-4-5-15-34(33)30-35)56-54(58-55)42-22-13-27-49-51(42)41-20-8-11-26-48(41)62-49/h1-32H.
What are the key properties of N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine has a molecular weight of 812.95 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176853583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).