2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

C51H35N3O — CID 167030009

IUPAC2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4cccc5oc6ccc(-c7ccc(-c8ccccc8)cc7)cc6c45)N=C(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1
InChIInChI=1S/C51H35N3O/c1-4-11-34(12-5-1)37-19-21-40(22-20-37)43-31-32-46-45(33-43)48-44(17-10-18-47(48)55-46)51-53-49(41-27-23-38(24-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-25-39(26-30-42)36-15-8-3-9-16-36/h1-33,51H,(H,52,53,54)
InChIKeyQRHYMBALYQKFOQ-UHFFFAOYSA-N
MW705.86 g/mol
LogP12.75
Rot. Bonds7

About 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine

2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 167030009) has the molecular formula C51H35N3O and a molecular weight of 705.86 g/mol. Its IUPAC name is 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID167030009
Molecular FormulaC51H35N3O
Molecular Weight705.86 g/mol
Exact Mass705.28
IUPAC Name2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4cccc5oc6ccc(-c7ccc(-c8ccccc8)cc7)cc6c45)N=C(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1
InChIInChI=1S/C51H35N3O/c1-4-11-34(12-5-1)37-19-21-40(22-20-37)43-31-32-46-45(33-43)48-44(17-10-18-47(48)55-46)51-53-49(41-27-23-38(24-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-25-39(26-30-42)36-15-8-3-9-16-36/h1-33,51H,(H,52,53,54)
InChIKeyQRHYMBALYQKFOQ-UHFFFAOYSA-N
XLogP12.75
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.86
LogP ≤ 512.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167030467
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
4-(8-naphthalen-2-yldibenzofuran-1-yl)-2-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 167029970
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
2-dibenzofuran-4-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030484
2-dibenzofuran-4-yl-4-(8-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 167029735
2-naphthalen-1-yl-6-phenyl-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030014
4-[8-[5-(3,5-diphenylphenyl)cyclohexa-1,3-dien-1-yl]dibenzofuran-1-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134199439
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
4-dibenzofuran-4-yl-2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293724
2-(8-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-4-(4-phenylnaphthalen-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170246449
2-dibenzofuran-1-yl-6-phenyl-4-[4-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,4-dihydro-1,3,5-triazine
CID 167030326

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine (CID 167030009) is 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4cccc5oc6ccc(-c7ccc(-c8ccccc8)cc7)cc6c45)N=C(c4ccc(-c5ccccc5)cc4)N3)cc2)cc1.
What is the InChIKey of 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is QRHYMBALYQKFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N3O/c1-4-11-34(12-5-1)37-19-21-40(22-20-37)43-31-32-46-45(33-43)48-44(17-10-18-47(48)55-46)51-53-49(41-27-23-38(24-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-25-39(26-30-42)36-15-8-3-9-16-36/h1-33,51H,(H,52,53,54).
What are the key properties of 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine?
2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 705.86 g/mol, XLogP of 12.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-phenylphenyl)-4-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167030009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).