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

C51H33N3O — CID 164797827

IUPAC2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5cccc(-c7ccccc7-c7ccccc7)c56)n4)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-13-34(14-5-1)35-23-25-36(26-24-35)37-27-29-40(30-28-37)50-52-49(39-17-8-3-9-18-39)53-51(54-50)41-31-32-45-47(33-41)55-46-22-12-21-44(48(45)46)43-20-11-10-19-42(43)38-15-6-2-7-16-38/h1-33H
InChIKeyBHKSGQKPVIAJFI-UHFFFAOYSA-N
MW703.85 g/mol
LogP13.44
Rot. Bonds7

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

2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 164797827) has the molecular formula C51H33N3O and a molecular weight of 703.85 g/mol. Its IUPAC name is 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
PubChem CID164797827
Molecular FormulaC51H33N3O
Molecular Weight703.85 g/mol
Exact Mass703.26
IUPAC Name2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5cccc(-c7ccccc7-c7ccccc7)c56)n4)cc3)cc2)cc1
InChIInChI=1S/C51H33N3O/c1-4-13-34(14-5-1)35-23-25-36(26-24-35)37-27-29-40(30-28-37)50-52-49(39-17-8-3-9-18-39)53-51(54-50)41-31-32-45-47(33-41)55-46-22-12-21-44(48(45)46)43-20-11-10-19-42(43)38-15-6-2-7-16-38/h1-33H
InChIKeyBHKSGQKPVIAJFI-UHFFFAOYSA-N
XLogP13.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-dibenzofuran-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2,4-diphenyl-6-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164797247
2-[9-(2-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170192124
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-[9-(2,4-diphenylphenyl)dibenzofuran-3-yl]-4-(7-phenylnaphthalen-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797654
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2,4-bis(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165042991
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 163961134

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (CID 164797827) is 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6c(c5)oc5cccc(-c7ccccc7-c7ccccc7)c56)n4)cc3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is BHKSGQKPVIAJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O/c1-4-13-34(14-5-1)35-23-25-36(26-24-35)37-27-29-40(30-28-37)50-52-49(39-17-8-3-9-18-39)53-51(54-50)41-31-32-45-47(33-41)55-46-22-12-21-44(48(45)46)43-20-11-10-19-42(43)38-15-6-2-7-16-38/h1-33H.
What are the key properties of 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine?
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 703.85 g/mol, XLogP of 13.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 164797827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).