2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

C49H29N3O2 — CID 170017180

IUPAC2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5c6ccccc6cc6oc7ccccc7c56)c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C49H29N3O2/c1-2-12-30(13-3-1)31-24-26-32(27-25-31)47-50-48(52-49(51-47)39-20-11-23-42-45(39)37-18-6-8-21-40(37)53-42)35-16-10-15-34(28-35)44-36-17-5-4-14-33(36)29-43-46(44)38-19-7-9-22-41(38)54-43/h1-29H
InChIKeyYLTGRVNJBLJOMQ-UHFFFAOYSA-N
MW691.79 g/mol
LogP13.16
Rot. Bonds5

About 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 170017180) has the molecular formula C49H29N3O2 and a molecular weight of 691.79 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID170017180
Molecular FormulaC49H29N3O2
Molecular Weight691.79 g/mol
Exact Mass691.23
IUPAC Name2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5c6ccccc6cc6oc7ccccc7c56)c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C49H29N3O2/c1-2-12-30(13-3-1)31-24-26-32(27-25-31)47-50-48(52-49(51-47)39-20-11-23-42-45(39)37-18-6-8-21-40(37)53-42)35-16-10-15-34(28-35)44-36-17-5-4-14-33(36)29-43-46(44)38-19-7-9-22-41(38)54-43/h1-29H
InChIKeyYLTGRVNJBLJOMQ-UHFFFAOYSA-N
XLogP13.16
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.79
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-(7-naphtho[3,2-b][1]benzofuran-11-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743004
2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-dibenzofuran-1-yl-4-(10-phenylphenanthren-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 174314611
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-1-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 164972990
2-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171607685
2-dibenzofuran-1-yl-4-phenanthren-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;hydride
CID 164955925
2-dibenzofuran-1-yl-4-phenyl-6-[5-(6-phenylnaphthalen-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176766233
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
2-dibenzofuran-1-yl-4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163687766
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2-dibenzofuran-1-yl-4-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 163779888

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 170017180) is 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5c6ccccc6cc6oc7ccccc7c56)c4)nc(-c4cccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is YLTGRVNJBLJOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N3O2/c1-2-12-30(13-3-1)31-24-26-32(27-25-31)47-50-48(52-49(51-47)39-20-11-23-42-45(39)37-18-6-8-21-40(37)53-42)35-16-10-15-34(28-35)44-36-17-5-4-14-33(36)29-43-46(44)38-19-7-9-22-41(38)54-43/h1-29H.
What are the key properties of 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 691.79 g/mol, XLogP of 13.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-(3-naphtho[3,2-b][1]benzofuran-11-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 170017180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).