2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C51H31N3O2 — CID 148688171

IUPAC2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccc8oc9ccccc9c8c7)c56)c4)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)38-17-9-16-36(30-38)40-20-10-21-42-47-39(19-11-23-46(47)56-48(40)42)37-28-29-45-43(31-37)41-18-7-8-22-44(41)55-45/h1-31H
InChIKeyNSXRLTKKCPETAT-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 148688171) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID148688171
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccc8oc9ccccc9c8c7)c56)c4)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)38-17-9-16-36(30-38)40-20-10-21-42-47-39(19-11-23-46(47)56-48(40)42)37-28-29-45-43(31-37)41-18-7-8-22-44(41)55-45/h1-31H
InChIKeyNSXRLTKKCPETAT-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

Analyze 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-[3-(9-dibenzofuran-3-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 153215497
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 134199171
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
2-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-dibenzofuran-3-yl-4-[3-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850264
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 148688171) is 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6c5oc5cccc(-c7ccc8oc9ccccc9c8c7)c56)c4)n3)cc2)cc1.
What is the InChIKey of 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is NSXRLTKKCPETAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-24-26-35(27-25-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)38-17-9-16-36(30-38)40-20-10-21-42-47-39(19-11-23-46(47)56-48(40)42)37-28-29-45-43(31-37)41-18-7-8-22-44(41)55-45/h1-31H.
What are the key properties of 2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-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-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 148688171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).