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

C55H35N3O — CID 164808637

IUPAC2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc(-c5ccccc5)cc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-14-36(15-5-1)39-26-30-42(31-27-39)46-23-13-25-48-51-49(34-44(35-50(51)59-52(46)48)38-18-8-3-9-19-38)55-57-53(43-32-28-40(29-33-43)37-16-6-2-7-17-37)56-54(58-55)47-24-12-21-41-20-10-11-22-45(41)47/h1-35H
InChIKeyCIAJYVDNKMHWRM-UHFFFAOYSA-N
MW753.91 g/mol
LogP14.59
Rot. Bonds7

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

2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 164808637) has the molecular formula C55H35N3O and a molecular weight of 753.91 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID164808637
Molecular FormulaC55H35N3O
Molecular Weight753.91 g/mol
Exact Mass753.28
IUPAC Name2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc(-c5ccccc5)cc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1
InChIInChI=1S/C55H35N3O/c1-4-14-36(15-5-1)39-26-30-42(31-27-39)46-23-13-25-48-51-49(34-44(35-50(51)59-52(46)48)38-18-8-3-9-19-38)55-57-53(43-32-28-40(29-33-43)37-16-6-2-7-17-37)56-54(58-55)47-24-12-21-41-20-10-11-22-45(41)47/h1-35H
InChIKeyCIAJYVDNKMHWRM-UHFFFAOYSA-N
XLogP14.59
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.91
LogP ≤ 514.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-4-[8-(4-naphthalen-1-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 156558838
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808588
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808398
2-[6-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-(7-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808539
2-(5-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808319
2,4-diphenyl-6-[7-(4-phenylphenyl)-9-[4-[4-phenyl-6-[7-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-1,3,5-triazine
CID 170116450
2-[3-(7,9-diphenyldibenzofuran-4-yl)phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164838484
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[3-(4-phenylphenyl)phenyl]-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[4-(3-phenylphenyl)phenyl]-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;6-(4-phenylphenyl)-1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 165026032
2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-dibenzofuran-3-yl-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[9-(4-naphthalen-1-ylphenyl)dibenzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 164954523

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 164808637) is 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)nc(-c4cc(-c5ccccc5)cc5oc6c(-c7ccc(-c8ccccc8)cc7)cccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is CIAJYVDNKMHWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35N3O/c1-4-14-36(15-5-1)39-26-30-42(31-27-39)46-23-13-25-48-51-49(34-44(35-50(51)59-52(46)48)38-18-8-3-9-19-38)55-57-53(43-32-28-40(29-33-43)37-16-6-2-7-17-37)56-54(58-55)47-24-12-21-41-20-10-11-22-45(41)47/h1-35H.
What are the key properties of 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 753.91 g/mol, XLogP of 14.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-4-(4-phenylphenyl)-6-[3-phenyl-6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 164808637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).