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

C51H31N3O2 — CID 167348928

IUPAC2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)ccc3-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-14-32(15-4-1)34-18-11-19-36(30-34)44-31-35(33-16-5-2-6-17-33)28-29-41(44)49-52-50(42-24-12-22-39-37-20-7-9-26-45(37)55-47(39)42)54-51(53-49)43-25-13-23-40-38-21-8-10-27-46(38)56-48(40)43/h1-31H
InChIKeyOUJWDFTVDDBKRG-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 167348928) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID167348928
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccccc4)ccc3-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-14-32(15-4-1)34-18-11-19-36(30-34)44-31-35(33-16-5-2-6-17-33)28-29-41(44)49-52-50(42-24-12-22-39-37-20-7-9-26-45(37)55-47(39)42)54-51(53-49)43-25-13-23-40-38-21-8-10-27-46(38)56-48(40)43/h1-31H
InChIKeyOUJWDFTVDDBKRG-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(4-phenylphenyl)-4-[6-[4-phenyl-6-[3-[2-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]phenyl]-1,3,5-triazine
CID 139441712
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2,4-di(dibenzofuran-4-yl)-6-(4-phenanthren-9-yl-2-phenylphenyl)-1,3,5-triazine
CID 163801076
2,4-di(dibenzofuran-4-yl)-6-[2,4-diphenyl-6-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348909
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2,4-di(dibenzofuran-4-yl)-6-[2-phenyl-3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167349302
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155480735
2-dibenzofuran-4-yl-4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 155763951
2,4-di(dibenzofuran-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 163620133
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-4,6-bis[2-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155481375

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine (CID 167348928) is 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3cc(-c4ccccc4)ccc3-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is OUJWDFTVDDBKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-14-32(15-4-1)34-18-11-19-36(30-34)44-31-35(33-16-5-2-6-17-33)28-29-41(44)49-52-50(42-24-12-22-39-37-20-7-9-26-45(37)55-47(39)42)54-51(53-49)43-25-13-23-40-38-21-8-10-27-46(38)56-48(40)43/h1-31H.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine?
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 167348928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).