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

C41H25N3O2 — CID 146183187

IUPAC2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C41H25N3O2/c1-2-10-26(11-3-1)29-13-8-14-31(24-29)40-42-39(28-22-20-27(21-23-28)37-25-30-12-4-6-18-35(30)45-37)43-41(44-40)34-17-9-16-33-32-15-5-7-19-36(32)46-38(33)34/h1-25H
InChIKeyYSNQYQDPJMYPSK-UHFFFAOYSA-N
MW591.67 g/mol
LogP10.85
Rot. Bonds5

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

2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 146183187) has the molecular formula C41H25N3O2 and a molecular weight of 591.67 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID146183187
Molecular FormulaC41H25N3O2
Molecular Weight591.67 g/mol
Exact Mass591.19
IUPAC Name2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C41H25N3O2/c1-2-10-26(11-3-1)29-13-8-14-31(24-29)40-42-39(28-22-20-27(21-23-28)37-25-30-12-4-6-18-35(30)45-37)43-41(44-40)34-17-9-16-33-32-15-5-7-19-36(32)46-38(33)34/h1-25H
InChIKeyYSNQYQDPJMYPSK-UHFFFAOYSA-N
XLogP10.85
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(1-benzofuran-2-yl)-4-dibenzofuran-4-yl-6-[4-(10-phenylanthracen-9-yl)phenyl]-1,3,5-triazine
CID 146183632
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
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
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 146183187) is 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-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-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cc6ccccc6o5)cc4)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is YSNQYQDPJMYPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O2/c1-2-10-26(11-3-1)29-13-8-14-31(24-29)40-42-39(28-22-20-27(21-23-28)37-25-30-12-4-6-18-35(30)45-37)43-41(44-40)34-17-9-16-33-32-15-5-7-19-36(32)46-38(33)34/h1-25H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 591.67 g/mol, XLogP of 10.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146183187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).