2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

C44H29N3O2 — CID 170423625

IUPAC2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCOc1ccc(-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C44H29N3O2/c1-48-38-25-24-33(27-37(38)32-23-22-28-12-8-9-17-31(28)26-32)34-18-10-19-35-40-36(20-11-21-39(40)49-41(34)35)44-46-42(29-13-4-2-5-14-29)45-43(47-44)30-15-6-3-7-16-30/h2-27H,1H3
InChIKeyWNHCEEADRGRBPS-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.27
Rot. Bonds6

About 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 170423625) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID170423625
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCOc1ccc(-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1-c1ccc2ccccc2c1
InChIInChI=1S/C44H29N3O2/c1-48-38-25-24-33(27-37(38)32-23-22-28-12-8-9-17-31(28)26-32)34-18-10-19-35-40-36(20-11-21-39(40)49-41(34)35)44-46-42(29-13-4-2-5-14-29)45-43(47-44)30-15-6-3-7-16-30/h2-27H,1H3
InChIKeyWNHCEEADRGRBPS-UHFFFAOYSA-N
XLogP11.27
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-naphthalen-2-ylphenyl)-4-[6-(4-phenylphenyl)dibenzofuran-1-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164808228
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 166742466
2-naphthalen-2-yl-4-[6-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164808335
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742620
2-dibenzofuran-3-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741074
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166742622
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743569
2-(6-dibenzofuran-3-yldibenzofuran-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741524
2-naphthalen-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166743611
2-dibenzofuran-1-yl-4-(6-naphtho[2,1-b][1]benzofuran-8-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 170016879
2-naphthalen-2-yl-4-(4-naphthalen-2-ylphenyl)-6-[3-(9-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 170214029
2-(6,8-dinaphthalen-2-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 137496577

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 170423625) is 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is COc1ccc(-c2cccc3c2oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)cc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WNHCEEADRGRBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c1-48-38-25-24-33(27-37(38)32-23-22-28-12-8-9-17-31(28)26-32)34-18-10-19-35-40-36(20-11-21-39(40)49-41(34)35)44-46-42(29-13-4-2-5-14-29)45-43(47-44)30-15-6-3-7-16-30/h2-27H,1H3.
What are the key properties of 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 631.74 g/mol, XLogP of 11.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-methoxy-3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 170423625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).