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

C44H29N3O — CID 176757249

IUPAC2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)c2oc3ccccc3c2c1
InChIInChI=1S/C44H29N3O/c1-28-25-38(41-39(26-28)37-13-7-8-14-40(37)48-41)32-18-22-34(23-19-32)43-45-42(33-20-15-31(16-21-33)29-9-3-2-4-10-29)46-44(47-43)36-24-17-30-11-5-6-12-35(30)27-36/h2-27H,1H3
InChIKeyXBVQFTNINZPOIS-UHFFFAOYSA-N
MW615.74 g/mol
LogP11.57
Rot. Bonds5

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

2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 176757249) has the molecular formula C44H29N3O and a molecular weight of 615.74 g/mol. Its IUPAC name is 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID176757249
Molecular FormulaC44H29N3O
Molecular Weight615.74 g/mol
Exact Mass615.23
IUPAC Name2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
SMILESCc1cc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)c2oc3ccccc3c2c1
InChIInChI=1S/C44H29N3O/c1-28-25-38(41-39(26-28)37-13-7-8-14-40(37)48-41)32-18-22-34(23-19-32)43-45-42(33-20-15-31(16-21-33)29-9-3-2-4-10-29)46-44(47-43)36-24-17-30-11-5-6-12-35(30)27-36/h2-27H,1H3
InChIKeyXBVQFTNINZPOIS-UHFFFAOYSA-N
XLogP11.57
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 511.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-naphthalen-2-yl-4-phenyl-6-[4-(3-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176853796
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-naphthalen-2-yl-4-(1-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853985
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[4-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214025
2-[5-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-8-yl]-4,6-diphenyl-1,3,5-triazine
CID 167143677
2-naphthalen-2-yl-4-(7-naphthalen-2-yldibenzofuran-4-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176765189
2-(4-dibenzofuran-4-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 164821795
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine (CID 176757249) is 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is Cc1cc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5ccccc5c4)n3)cc2)c2oc3ccccc3c2c1.
What is the InChIKey of 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is XBVQFTNINZPOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O/c1-28-25-38(41-39(26-28)37-13-7-8-14-40(37)48-41)32-18-22-34(23-19-32)43-45-42(33-20-15-31(16-21-33)29-9-3-2-4-10-29)46-44(47-43)36-24-17-30-11-5-6-12-35(30)27-36/h2-27H,1H3.
What are the key properties of 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine?
2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 615.74 g/mol, XLogP of 11.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methyldibenzofuran-4-yl)phenyl]-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 176757249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).