2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

C49H31N3O — CID 164797611

IUPAC2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-c4cccc5cc(-c6ccccc6)ccc45)n3)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-12-32(13-5-1)34-22-24-36(25-23-34)47-50-48(39-27-29-43-45(31-39)53-44-21-11-19-41(46(43)44)35-16-8-3-9-17-35)52-49(51-47)42-20-10-18-38-30-37(26-28-40(38)42)33-14-6-2-7-15-33/h1-31H
InChIKeyMMSAWHLLGBXIAN-UHFFFAOYSA-N
MW677.81 g/mol
LogP12.93
Rot. Bonds6

About 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine

2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164797611) has the molecular formula C49H31N3O and a molecular weight of 677.81 g/mol. Its IUPAC name is 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID164797611
Molecular FormulaC49H31N3O
Molecular Weight677.81 g/mol
Exact Mass677.25
IUPAC Name2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-c4cccc5cc(-c6ccccc6)ccc45)n3)cc2)cc1
InChIInChI=1S/C49H31N3O/c1-4-12-32(13-5-1)34-22-24-36(25-23-34)47-50-48(39-27-29-43-45(31-39)53-44-21-11-19-41(46(43)44)35-16-8-3-9-17-35)52-49(51-47)42-20-10-18-38-30-37(26-28-40(38)42)33-14-6-2-7-15-33/h1-31H
InChIKeyMMSAWHLLGBXIAN-UHFFFAOYSA-N
XLogP12.93
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797601
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-[6-(7-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166742881
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165084892

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 164797611) is 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4cccc(-c6ccccc6)c45)nc(-c4cccc5cc(-c6ccccc6)ccc45)n3)cc2)cc1.
What is the InChIKey of 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is MMSAWHLLGBXIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O/c1-4-12-32(13-5-1)34-22-24-36(25-23-34)47-50-48(39-27-29-43-45(31-39)53-44-21-11-19-41(46(43)44)35-16-8-3-9-17-35)52-49(51-47)42-20-10-18-38-30-37(26-28-40(38)42)33-14-6-2-7-15-33/h1-31H.
What are the key properties of 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 677.81 g/mol, XLogP of 12.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164797611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).