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

C54H35N3O2 — CID 170132488

IUPAC2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)=NC1c1cccc2c1oc1ccccc12
InChIInChI=1S/C54H35N3O2/c1-57-53(34-16-3-2-4-17-34)55-52(56-54(57)46-28-13-26-43-40-22-9-10-29-47(40)58-51(43)46)44-32-31-39(37-20-7-8-21-38(37)44)41-24-14-30-48-49(41)45-27-12-25-42(50(45)59-48)36-23-11-18-33-15-5-6-19-35(33)36/h2-32,54H,1H3
InChIKeyIGBDZIFCPQWBPB-UHFFFAOYSA-N
MW757.89 g/mol
LogP13.96
Rot. Bonds5

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

2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine (PubChem CID 170132488) has the molecular formula C54H35N3O2 and a molecular weight of 757.89 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine
PubChem CID170132488
Molecular FormulaC54H35N3O2
Molecular Weight757.89 g/mol
Exact Mass757.27
IUPAC Name2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine
SMILESCN1C(c2ccccc2)=NC(c2ccc(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)=NC1c1cccc2c1oc1ccccc12
InChIInChI=1S/C54H35N3O2/c1-57-53(34-16-3-2-4-17-34)55-52(56-54(57)46-28-13-26-43-40-22-9-10-29-47(40)58-51(43)46)44-32-31-39(37-20-7-8-21-38(37)44)41-24-14-30-48-49(41)45-27-12-25-42(50(45)59-48)36-23-11-18-33-15-5-6-19-35(33)36/h2-32,54H,1H3
InChIKeyIGBDZIFCPQWBPB-UHFFFAOYSA-N
XLogP13.96
TPSA54.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 513.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 166743398
1-methyl-4-(8-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-2H-1,3,5-triazine
CID 170230680
2-(7-methyl-6,7-dihydrodibenzofuran-4-yl)-4-[3-[3-[6-[1-methyl-4-(2-naphthalen-1-ylphenyl)-6-(3-phenanthren-9-ylphenyl)-2H-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-6-(2-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 163811041
1-(8-naphthalen-1-ylpyren-1-yl)-6-phenyldibenzofuran
CID 170658024
2-dibenzofuran-4-yl-4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112899
6-dibenzofuran-1-yl-1-methyl-4-naphthalen-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-2H-1,3,5-triazine
CID 171587273
2-(6-naphtho[1,2-b][1]benzofuran-4-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166741050
N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 166589590
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
2-dibenzofuran-4-yl-4-(2-naphthalen-1-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 155481309
5-[2-[1-methyl-6-naphthalen-2-yl-2-(9-phenylcarbazol-4-yl)-2H-1,3,5-triazin-4-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 167043276
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742287

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine (CID 170132488) is 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine is CN1C(c2ccccc2)=NC(c2ccc(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)=NC1c1cccc2c1oc1ccccc12.
What is the InChIKey of 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine?
The InChIKey is IGBDZIFCPQWBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2/c1-57-53(34-16-3-2-4-17-34)55-52(56-54(57)46-28-13-26-43-40-22-9-10-29-47(40)58-51(43)46)44-32-31-39(37-20-7-8-21-38(37)44)41-24-14-30-48-49(41)45-27-12-25-42(50(45)59-48)36-23-11-18-33-15-5-6-19-35(33)36/h2-32,54H,1H3.
What are the key properties of 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine?
2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine has a molecular weight of 757.89 g/mol, XLogP of 13.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-1-methyl-4-[4-(6-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-2H-1,3,5-triazine is sourced from PubChem (CID 170132488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).