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

C51H31N3O2 — CID 170192124

IUPAC2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-c6ccc7oc8ccccc8c7c6)c45)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-26-28-42-47(31-37)56-46-21-11-19-41(48(42)46)39-17-8-7-16-38(39)36-27-29-45-43(30-36)40-18-9-10-20-44(40)55-45/h1-31H
InChIKeyVYXQORUHMXPIAP-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

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

2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170192124) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170192124
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-c6ccc7oc8ccccc8c7c6)c45)n3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-26-28-42-47(31-37)56-46-21-11-19-41(48(42)46)39-17-8-7-16-38(39)36-27-29-45-43(30-36)40-18-9-10-20-44(40)55-45/h1-31H
InChIKeyVYXQORUHMXPIAP-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-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-2-yl-4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742830
2,4-diphenyl-6-[8-[2-(9-phenyldibenzofuran-3-yl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170193016
2-dibenzofuran-3-yl-4-(4-dibenzofuran-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157361535
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-[4-[8-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 170193050
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-(3-dibenzofuran-1-yl-4-dibenzofuran-2-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402604
2,4-bis(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156522936
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-[6-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192190
2-[8-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192137
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146937839

Frequently Asked Questions

What is the IUPAC name of 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 170192124) is 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6-c6ccc7oc8ccccc8c7c6)c45)n3)cc2)cc1.
What is the InChIKey of 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is VYXQORUHMXPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-22-24-35(25-23-33)50-52-49(34-14-5-2-6-15-34)53-51(54-50)37-26-28-42-47(31-37)56-46-21-11-19-41(48(42)46)39-17-8-7-16-38(39)36-27-29-45-43(30-36)40-18-9-10-20-44(40)55-45/h1-31H.
What are the key properties of 2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-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-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170192124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).