2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

C47H29N3O — CID 170016716

IUPAC2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6oc7ccc(-c8ccccc8)cc7c56)n4)cc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-3-10-30(11-4-1)35-21-18-33-20-23-38(28-39(33)27-35)46-48-45(37-22-19-32-14-7-8-15-34(32)26-37)49-47(50-46)40-16-9-17-43-44(40)41-29-36(24-25-42(41)51-43)31-12-5-2-6-13-31/h1-29H
InChIKeyRITXGCAGRLGHKA-UHFFFAOYSA-N
MW651.77 g/mol
LogP12.41
Rot. Bonds5

About 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170016716) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID170016716
Molecular FormulaC47H29N3O
Molecular Weight651.77 g/mol
Exact Mass651.23
IUPAC Name2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6oc7ccc(-c8ccccc8)cc7c56)n4)cc3c2)cc1
InChIInChI=1S/C47H29N3O/c1-3-10-30(11-4-1)35-21-18-33-20-23-38(28-39(33)27-35)46-48-45(37-22-19-32-14-7-8-15-34(32)26-37)49-47(50-46)40-16-9-17-43-44(40)41-29-36(24-25-42(41)51-43)31-12-5-2-6-13-31/h1-29H
InChIKeyRITXGCAGRLGHKA-UHFFFAOYSA-N
XLogP12.41
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 512.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163842076
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742551
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742908
2-(8-naphthalen-1-yldibenzofuran-1-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166741458
2-(8-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-6-phenyl-1,3,5-triazine
CID 166742412
2-[5-(8-naphthalen-2-yldibenzofuran-1-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742938
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2,4-diphenyl-6-(8-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 125480081

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 170016716) is 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is c1ccc(-c2ccc3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5cccc6oc7ccc(-c8ccccc8)cc7c56)n4)cc3c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is RITXGCAGRLGHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-10-30(11-4-1)35-21-18-33-20-23-38(28-39(33)27-35)46-48-45(37-22-19-32-14-7-8-15-34(32)26-37)49-47(50-46)40-16-9-17-43-44(40)41-29-36(24-25-42(41)51-43)31-12-5-2-6-13-31/h1-29H.
What are the key properties of 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170016716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).