2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine

C57H35N3O — CID 170213995

IUPAC2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4cc(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7cccc8ccccc78)n6)c6ccccc56)ccc4c23)cc1
InChIInChI=1S/C57H35N3O/c1-2-13-38(14-3-1)46-24-12-26-52-54(46)51-32-31-41(35-53(51)61-52)45-33-34-50(48-22-9-8-21-47(45)48)57-59-55(58-56(60-57)49-25-11-18-37-16-5-7-20-44(37)49)40-29-27-39(28-30-40)43-23-10-17-36-15-4-6-19-42(36)43/h1-35H
InChIKeyDQJOPPYSWZRCHU-UHFFFAOYSA-N
MW777.93 g/mol
LogP15.23
Rot. Bonds6

About 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine

2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine (PubChem CID 170213995) has the molecular formula C57H35N3O and a molecular weight of 777.93 g/mol. Its IUPAC name is 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
PubChem CID170213995
Molecular FormulaC57H35N3O
Molecular Weight777.93 g/mol
Exact Mass777.28
IUPAC Name2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4cc(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7cccc8ccccc78)n6)c6ccccc56)ccc4c23)cc1
InChIInChI=1S/C57H35N3O/c1-2-13-38(14-3-1)46-24-12-26-52-54(46)51-32-31-41(35-53(51)61-52)45-33-34-50(48-22-9-8-21-47(45)48)57-59-55(58-56(60-57)49-25-11-18-37-16-5-7-20-44(37)49)40-29-27-39(28-30-40)43-23-10-17-36-15-4-6-19-42(36)43/h1-35H
InChIKeyDQJOPPYSWZRCHU-UHFFFAOYSA-N
XLogP15.23
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163440403
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743109
2-naphthalen-1-yl-4-[9-(4-naphthalen-2-ylphenyl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 164798033
2-(9-phenyldibenzofuran-3-yl)-4-(6-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797611
2-(5-phenylnaphthalen-2-yl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797601
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-(3-dibenzofuran-1-ylphenyl)-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731767
2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 170223853
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164798189
2-phenyl-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797315
2-(7-phenylnaphthalen-1-yl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797947

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine (CID 170213995) is 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2cccc3oc4cc(-c5ccc(-c6nc(-c7ccc(-c8cccc9ccccc89)cc7)nc(-c7cccc8ccccc78)n6)c6ccccc56)ccc4c23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is DQJOPPYSWZRCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O/c1-2-13-38(14-3-1)46-24-12-26-52-54(46)51-32-31-41(35-53(51)61-52)45-33-34-50(48-22-9-8-21-47(45)48)57-59-55(58-56(60-57)49-25-11-18-37-16-5-7-20-44(37)49)40-29-27-39(28-30-40)43-23-10-17-36-15-4-6-19-42(36)43/h1-35H.
What are the key properties of 2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine?
2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 777.93 g/mol, XLogP of 15.23, 6 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-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170213995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).