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

C49H35N3O2 — CID 164798198

IUPAC2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C5CCOC5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cc2)cc1
InChIInChI=1S/C49H35N3O2/c1-3-8-32(9-4-1)34-14-20-37(21-15-34)42-12-7-13-44-46(42)43-27-26-40(30-45(43)54-44)49-51-47(38-22-16-35(17-23-38)33-10-5-2-6-11-33)50-48(52-49)39-24-18-36(19-25-39)41-28-29-53-31-41/h1-27,30,41H,28-29,31H2
InChIKeyMPVQHJMNYYKMQE-UHFFFAOYSA-N
MW697.84 g/mol
LogP12.28
Rot. Bonds7

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

2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 164798198) has the molecular formula C49H35N3O2 and a molecular weight of 697.84 g/mol. Its IUPAC name is 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
PubChem CID164798198
Molecular FormulaC49H35N3O2
Molecular Weight697.84 g/mol
Exact Mass697.27
IUPAC Name2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(C5CCOC5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cc2)cc1
InChIInChI=1S/C49H35N3O2/c1-3-8-32(9-4-1)34-14-20-37(21-15-34)42-12-7-13-44-46(42)43-27-26-40(30-45(43)54-44)49-51-47(38-22-16-35(17-23-38)33-10-5-2-6-11-33)50-48(52-49)39-24-18-36(19-25-39)41-28-29-53-31-41/h1-27,30,41H,28-29,31H2
InChIKeyMPVQHJMNYYKMQE-UHFFFAOYSA-N
XLogP12.28
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 164797633
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-3-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304372
2-(3,4-diphenylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797807
2-(3,5-diphenylphenyl)-4-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797691
2-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
2-[9-(3,5-diphenylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797357
2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797601
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-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]germane;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane
CID 165037309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The IUPAC name of 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 164798198) is 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(C5CCOC5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7ccccc7)cc6)c45)n3)cc2)cc1.
What is the InChIKey of 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
The InChIKey is MPVQHJMNYYKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H35N3O2/c1-3-8-32(9-4-1)34-14-20-37(21-15-34)42-12-7-13-44-46(42)43-27-26-40(30-45(43)54-44)49-51-47(38-22-16-35(17-23-38)33-10-5-2-6-11-33)50-48(52-49)39-24-18-36(19-25-39)41-28-29-53-31-41/h1-27,30,41H,28-29,31H2.
What are the key properties of 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine?
2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 697.84 g/mol, XLogP of 12.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxolan-3-yl)phenyl]-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 164798198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).