2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

C51H31N3O2 — CID 155079176

IUPAC2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-13-32(14-4-1)34-17-11-19-37(29-34)49-52-50(38-20-12-18-35(30-38)33-15-5-2-6-16-33)54-51(53-49)43-28-27-39(47-42-22-8-10-24-45(42)56-48(43)47)36-25-26-41-40-21-7-9-23-44(40)55-46(41)31-36/h1-31H
InChIKeyNLHHDHDHDPLBME-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine

2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (PubChem CID 155079176) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
PubChem CID155079176
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-13-32(14-4-1)34-17-11-19-37(29-34)49-52-50(38-20-12-18-35(30-38)33-15-5-2-6-16-33)54-51(53-49)43-28-27-39(47-42-22-8-10-24-45(42)56-48(43)47)36-25-26-41-40-21-7-9-23-44(40)55-46(41)31-36/h1-31H
InChIKeyNLHHDHDHDPLBME-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-phenyl-4-[7-(4-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170206981
2-dibenzofuran-3-yl-4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077748
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078325
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 155077731
2-(7-dibenzofuran-1-yldibenzofuran-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166952829
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078181
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 155079372
2,4-diphenyl-6-[3-(4-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 130289437
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-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 163803934
2-dibenzofuran-4-yl-4-phenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741541

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine (CID 155079176) is 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc(-c5ccc6c(c5)oc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is NLHHDHDHDPLBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-13-32(14-4-1)34-17-11-19-37(29-34)49-52-50(38-20-12-18-35(30-38)33-15-5-2-6-16-33)54-51(53-49)43-28-27-39(47-42-22-8-10-24-45(42)56-48(43)47)36-25-26-41-40-21-7-9-23-44(40)55-46(41)31-36/h1-31H.
What are the key properties of 2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine?
2-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-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-(1-dibenzofuran-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 155079176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).