2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

C49H31N3O2 — CID 170301918

IUPAC2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4ccccc4)cc(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)nc(-c5cccc6c5oc5ccccc56)n4)c3C2C=C1
InChIInChI=1S/C49H31N3O2/c1-3-12-30(13-4-1)32-22-23-34-27-35(25-24-33(34)26-32)47-50-48(40-19-11-18-38-37-16-7-9-20-42(37)54-46(38)40)52-49(51-47)41-28-36(31-14-5-2-6-15-31)29-44-45(41)39-17-8-10-21-43(39)53-44/h1-29,39,43H
InChIKeyJQRMBCAOUGMZJV-UHFFFAOYSA-N
MW693.81 g/mol
LogP12.23
Rot. Bonds5

About 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (PubChem CID 170301918) has the molecular formula C49H31N3O2 and a molecular weight of 693.81 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
PubChem CID170301918
Molecular FormulaC49H31N3O2
Molecular Weight693.81 g/mol
Exact Mass693.24
IUPAC Name2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
SMILESC1=CC2Oc3cc(-c4ccccc4)cc(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)nc(-c5cccc6c5oc5ccccc56)n4)c3C2C=C1
InChIInChI=1S/C49H31N3O2/c1-3-12-30(13-4-1)32-22-23-34-27-35(25-24-33(34)26-32)47-50-48(40-19-11-18-38-37-16-7-9-20-42(37)54-46(38)40)52-49(51-47)41-28-36(31-14-5-2-6-15-31)29-44-45(41)39-17-8-10-21-43(39)53-44/h1-29,39,43H
InChIKeyJQRMBCAOUGMZJV-UHFFFAOYSA-N
XLogP12.23
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.81
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170301858
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-phenanthren-9-yl-4-phenyl-6-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-1,3,5-triazine
CID 170301807
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163883122
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine (CID 170301918) is 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is C1=CC2Oc3cc(-c4ccccc4)cc(-c4nc(-c5ccc6cc(-c7ccccc7)ccc6c5)nc(-c5cccc6c5oc5ccccc56)n4)c3C2C=C1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
The InChIKey is JQRMBCAOUGMZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31N3O2/c1-3-12-30(13-4-1)32-22-23-34-27-35(25-24-33(34)26-32)47-50-48(40-19-11-18-38-37-16-7-9-20-42(37)54-46(38)40)52-49(51-47)41-28-36(31-14-5-2-6-15-31)29-44-45(41)39-17-8-10-21-43(39)53-44/h1-29,39,43H.
What are the key properties of 2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine has a molecular weight of 693.81 g/mol, XLogP of 12.23, 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-4-(3-phenyl-5a,9a-dihydrodibenzofuran-1-yl)-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine is sourced from PubChem (CID 170301918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).