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

C51H32N4OS — CID 166975179

IUPAC1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5oc6ccccc6c45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C51H32N4OS/c1-4-15-34(16-5-1)49-52-50(54-51(53-49)42-24-14-23-40-39-21-11-13-26-45(39)57-48(40)42)35-29-27-33(28-30-35)38-31-32-43(47-46(38)41-22-10-12-25-44(41)56-47)55(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-32H
InChIKeyZJBBXLNLJKYURK-UHFFFAOYSA-N
MW748.91 g/mol
LogP14.28
Rot. Bonds7

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

1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine (PubChem CID 166975179) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound Name1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine
PubChem CID166975179
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5oc6ccccc6c45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1
InChIInChI=1S/C51H32N4OS/c1-4-15-34(16-5-1)49-52-50(54-51(53-49)42-24-14-23-40-39-21-11-13-26-45(39)57-48(40)42)35-29-27-33(28-30-35)38-31-32-43(47-46(38)41-22-10-12-25-44(41)56-47)55(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-32H
InChIKeyZJBBXLNLJKYURK-UHFFFAOYSA-N
XLogP14.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 514.28
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-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166975476
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435269
N-(4-dibenzothiophen-4-ylphenyl)-N-phenanthren-3-yl-1-phenyldibenzofuran-4-amine
CID 168809995
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805
2-[4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078930
2-dibenzothiophen-3-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743560
2-dibenzofuran-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 147864491
2,4-diphenyl-6-[7-[1-(3-phenylphenyl)dibenzofuran-4-yl]dibenzothiophen-4-yl]-1,3,5-triazine
CID 170201845
N-(4-dibenzothiophen-2-ylphenyl)-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171434776
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171434565
2-dibenzothiophen-4-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166952877

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine?
The IUPAC name of 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine (CID 166975179) is 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine.
What is the SMILES notation for 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine?
The canonical SMILES for 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine is c1ccc(-c2nc(-c3ccc(-c4ccc(N(c5ccccc5)c5ccccc5)c5oc6ccccc6c45)cc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1.
What is the InChIKey of 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine?
The InChIKey is ZJBBXLNLJKYURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-4-15-34(16-5-1)49-52-50(54-51(53-49)42-24-14-23-40-39-21-11-13-26-45(39)57-48(40)42)35-29-27-33(28-30-35)38-31-32-43(47-46(38)41-22-10-12-25-44(41)56-47)55(36-17-6-2-7-18-36)37-19-8-3-9-20-37/h1-32H.
What are the key properties of 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine?
1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine has a molecular weight of 748.91 g/mol, XLogP of 14.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 166975179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).