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

C51H31N3O2 — CID 170200545

IUPAC2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7cc(-c8ccccc8)cc8oc9ccccc9c78)cccc6c45)n3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)41-26-14-28-44-47(41)40-25-13-24-38(48(40)56-44)42-30-37(33-17-6-2-7-18-33)31-45-46(42)39-23-10-11-27-43(39)55-45/h1-31H
InChIKeySJOFQAALQBMVEV-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 170200545) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID170200545
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7cc(-c8ccccc8)cc8oc9ccccc9c78)cccc6c45)n3)c2)cc1
InChIInChI=1S/C51H31N3O2/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)41-26-14-28-44-47(41)40-25-13-24-38(48(40)56-44)42-30-37(33-17-6-2-7-18-33)31-45-46(42)39-23-10-11-27-43(39)55-45/h1-31H
InChIKeySJOFQAALQBMVEV-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-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-3-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 170378467
2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423
2-[6-(2,4-diphenylphenyl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808464
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-(6-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166740989
2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164838484
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808582
2-(4-phenylphenyl)-4-[6-(3-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808572

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 170200545) is 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-c7cc(-c8ccccc8)cc8oc9ccccc9c78)cccc6c45)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is SJOFQAALQBMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-4-15-32(16-5-1)35-21-12-22-36(29-35)50-52-49(34-19-8-3-9-20-34)53-51(54-50)41-26-14-28-44-47(41)40-25-13-24-38(48(40)56-44)42-30-37(33-17-6-2-7-18-33)31-45-46(42)39-23-10-11-27-43(39)55-45/h1-31H.
What are the key properties of 2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(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-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170200545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).