2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine

C48H31N3O — CID 170223853

IUPAC2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESCc1nc(-c2ccccc2)nc(-c2cccc3c(-c4cccc5oc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c45)cccc23)n1
InChIInChI=1S/C48H31N3O/c1-30-49-47(32-15-6-3-7-16-32)51-48(50-30)42-23-11-19-38-39(20-10-21-40(38)42)41-22-12-24-44-46(41)43-26-25-33(29-45(43)52-44)35-28-27-34(31-13-4-2-5-14-31)36-17-8-9-18-37(35)36/h2-29H,1H3
InChIKeyDBPJWRKGLQCUGW-UHFFFAOYSA-N
MW665.80 g/mol
LogP12.72
Rot. Bonds5

About 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine

2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 170223853) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
PubChem CID170223853
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESCc1nc(-c2ccccc2)nc(-c2cccc3c(-c4cccc5oc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c45)cccc23)n1
InChIInChI=1S/C48H31N3O/c1-30-49-47(32-15-6-3-7-16-32)51-48(50-30)42-23-11-19-38-39(20-10-21-40(38)42)41-22-12-24-44-46(41)43-26-25-33(29-45(43)52-44)35-28-27-34(31-13-4-2-5-14-31)36-17-8-9-18-37(35)36/h2-29H,1H3
InChIKeyDBPJWRKGLQCUGW-UHFFFAOYSA-N
XLogP12.72
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-4-(4-naphthalen-1-ylphenyl)-6-[4-(9-phenyldibenzofuran-3-yl)naphthalen-1-yl]-1,3,5-triazine
CID 170213995
2-(7-dibenzofuran-1-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741824
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
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-phenyl-4-[9-(2-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797827
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-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155603269
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158453153
2-(4-naphthalen-1-ylphenyl)-4-(9-phenyldibenzofuran-3-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164797525
2-phenyl-4-(9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 167377806

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine (CID 170223853) is 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine is Cc1nc(-c2ccccc2)nc(-c2cccc3c(-c4cccc5oc6cc(-c7ccc(-c8ccccc8)c8ccccc78)ccc6c45)cccc23)n1.
What is the InChIKey of 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is DBPJWRKGLQCUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-30-49-47(32-15-6-3-7-16-32)51-48(50-30)42-23-11-19-38-39(20-10-21-40(38)42)41-22-12-24-44-46(41)43-26-25-33(29-45(43)52-44)35-28-27-34(31-13-4-2-5-14-31)36-17-8-9-18-37(35)36/h2-29H,1H3.
What are the key properties of 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine?
2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 665.80 g/mol, XLogP of 12.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-6-[5-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 170223853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).