6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

C49H31N3O2 — CID 167007408

IUPAC6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4cc(-c5ccc6oc7ccccc7c6c5)cc5oc6ccccc6c45)=N3)cc2)cc1
InChIInChI=1S/C49H31N3O2/c1-2-10-30(11-3-1)32-18-21-33(22-19-32)47-50-48(36-23-20-31-12-4-5-13-34(31)26-36)52-49(51-47)41-28-37(29-45-46(41)39-15-7-9-17-43(39)54-45)35-24-25-44-40(27-35)38-14-6-8-16-42(38)53-44/h1-29,48H,(H,50,51,52)
InChIKeyQHTWUTYAZPIBFF-UHFFFAOYSA-N
MW693.81 g/mol
LogP12.47
Rot. Bonds5

About 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine

6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (PubChem CID 167007408) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
PubChem CID167007408
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4cc(-c5ccc6oc7ccccc7c6c5)cc5oc6ccccc6c45)=N3)cc2)cc1
InChIInChI=1S/C49H31N3O2/c1-2-10-30(11-3-1)32-18-21-33(22-19-32)47-50-48(36-23-20-31-12-4-5-13-34(31)26-36)52-49(51-47)41-28-37(29-45-46(41)39-15-7-9-17-43(39)54-45)35-24-25-44-40(27-35)38-14-6-8-16-42(38)53-44/h1-29,48H,(H,50,51,52)
InChIKeyQHTWUTYAZPIBFF-UHFFFAOYSA-N
XLogP12.47
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 512.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 137285203
2-naphthalen-2-yl-4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170247017
2-naphthalen-2-yl-4-phenanthren-9-yl-6-(8-phenyldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 167029547
4-(4-naphthalen-2-ylphenyl)-2-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 156553943
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-[3-(8-phenyldibenzofuran-1-yl)phenyl]-1,2-dihydro-1,3,5-triazine
CID 167030113
2-naphthalen-2-yl-4-(7-phenanthren-2-yldibenzofuran-1-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170246939
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
2,6-dinaphthalen-2-yl-4-(7-naphtho[2,1-b][1]benzofuran-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170293576
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
4-[3-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166867441
9-[4-[4-(2-naphthalen-2-yl-4-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]naphthalen-1-yl]-[1]benzofuro[3,2-c]pyridine
CID 163628503
4-(3-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-2-phenanthren-3-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 167030334

Frequently Asked Questions

What is the IUPAC name of 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine (CID 167007408) is 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is c1ccc(-c2ccc(C3=NC(c4ccc5ccccc5c4)NC(c4cc(-c5ccc6oc7ccccc7c6c5)cc5oc6ccccc6c45)=N3)cc2)cc1.
What is the InChIKey of 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
The InChIKey is QHTWUTYAZPIBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-2-10-30(11-3-1)32-18-21-33(22-19-32)47-50-48(36-23-20-31-12-4-5-13-34(31)26-36)52-49(51-47)41-28-37(29-45-46(41)39-15-7-9-17-43(39)54-45)35-24-25-44-40(27-35)38-14-6-8-16-42(38)53-44/h1-29,48H,(H,50,51,52).
What are the key properties of 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine?
6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine has a molecular weight of 693.81 g/mol, XLogP of 12.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-dibenzofuran-2-yldibenzofuran-1-yl)-2-naphthalen-2-yl-4-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 167007408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).