2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine

C119H71N9O4S2 — CID 158471795

IUPAC2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1
InChIInChI=1S/C41H25N3OS.C39H23N3O2.C39H23N3OS/c1-2-9-26(10-3-1)29-12-8-13-31(23-29)40-42-39(28-19-17-27(18-20-28)36-25-30-11-4-6-15-35(30)45-36)43-41(44-40)32-21-22-38-34(24-32)33-14-5-7-16-37(33)46-38;1-2-9-27-22-29(21-16-24(27)8-1)38-40-37(26-19-17-25(18-20-26)35-23-28-10-3-5-14-33(28)43-35)41-39(42-38)32-13-7-12-31-30-11-4-6-15-34(30)44-36(31)32;1-2-9-27-22-29(21-16-24(27)8-1)38-40-37(26-19-17-25(18-20-26)34-23-28-10-3-5-14-33(28)43-34)41-39(42-38)32-13-7-12-31-30-11-4-6-15-35(30)44-36(31)32/h1-25H;2*1-23H
InChIKeyHGKYRJJYPGPXMN-UHFFFAOYSA-N
MW1755.07 g/mol
LogP32.47
Rot. Bonds13

About 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine

2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 158471795) has the molecular formula C119H71N9O4S2 and a molecular weight of 1755.07 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID158471795
Molecular FormulaC119H71N9O4S2
Molecular Weight1755.07 g/mol
Exact Mass1753.51
IUPAC Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1
InChIInChI=1S/C41H25N3OS.C39H23N3O2.C39H23N3OS/c1-2-9-26(10-3-1)29-12-8-13-31(23-29)40-42-39(28-19-17-27(18-20-28)36-25-30-11-4-6-15-35(30)45-36)43-41(44-40)32-21-22-38-34(24-32)33-14-5-7-16-37(33)46-38;1-2-9-27-22-29(21-16-24(27)8-1)38-40-37(26-19-17-25(18-20-26)35-23-28-10-3-5-14-33(28)43-35)41-39(42-38)32-13-7-12-31-30-11-4-6-15-34(30)44-36(31)32;1-2-9-27-22-29(21-16-24(27)8-1)38-40-37(26-19-17-25(18-20-26)34-23-28-10-3-5-14-33(28)43-34)41-39(42-38)32-13-7-12-31-30-11-4-6-15-35(30)44-36(31)32/h1-25H;2*1-23H
InChIKeyHGKYRJJYPGPXMN-UHFFFAOYSA-N
XLogP32.47
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001755.07
LogP ≤ 532.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 170362985
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146183187
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 148788297
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441895
2-dibenzothiophen-4-yl-4-(7-naphtho[2,3-b][1]benzothiol-2-ylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168744219
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
2-dibenzothiophen-4-yl-4-naphthalen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 177119517
2-dibenzothiophen-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 139441907
2-(4-dibenzothiophen-4-ylphenyl)-4-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 139549050

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 158471795) is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4ccc5sc6ccccc6c5c4)n3)c2)cc1.c1ccc2cc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)ccc2c1.c1ccc2cc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4sc4ccccc45)n3)ccc2c1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is HGKYRJJYPGPXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3OS.C39H23N3O2.C39H23N3OS/c1-2-9-26(10-3-1)29-12-8-13-31(23-29)40-42-39(28-19-17-27(18-20-28)36-25-30-11-4-6-15-35(30)45-36)43-41(44-40)32-21-22-38-34(24-32)33-14-5-7-16-37(33)46-38;1-2-9-27-22-29(21-16-24(27)8-1)38-40-37(26-19-17-25(18-20-26)35-23-28-10-3-5-14-33(28)43-35)41-39(42-38)32-13-7-12-31-30-11-4-6-15-34(30)44-36(31)32;1-2-9-27-22-29(21-16-24(27)8-1)38-40-37(26-19-17-25(18-20-26)34-23-28-10-3-5-14-33(28)43-34)41-39(42-38)32-13-7-12-31-30-11-4-6-15-35(30)44-36(31)32/h1-25H;2*1-23H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 1755.07 g/mol, XLogP of 32.47, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine;2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-2-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 158471795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).