2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol

C47H29N3O2 — CID 170927072

IUPAC2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H29N3O2/c51-41-17-8-16-40(43(41)32-23-21-31(22-24-32)37-14-7-15-39-38-13-5-6-18-42(38)52-44(37)39)47-49-45(35-25-19-29-9-1-3-11-33(29)27-35)48-46(50-47)36-26-20-30-10-2-4-12-34(30)28-36/h1-28,51H
InChIKeyMUXDZNRHYJGHKK-UHFFFAOYSA-N
MW667.77 g/mol
LogP12.12
Rot. Bonds5

About 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol

2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol (PubChem CID 170927072) has the molecular formula C47H29N3O2 and a molecular weight of 667.77 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
PubChem CID170927072
Molecular FormulaC47H29N3O2
Molecular Weight667.77 g/mol
Exact Mass667.23
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
SMILESOc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccc(-c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H29N3O2/c51-41-17-8-16-40(43(41)32-23-21-31(22-24-32)37-14-7-15-39-38-13-5-6-18-42(38)52-44(37)39)47-49-45(35-25-19-29-9-1-3-11-33(29)27-35)48-46(50-47)36-26-20-30-10-2-4-12-34(30)28-36/h1-28,51H
InChIKeyMUXDZNRHYJGHKK-UHFFFAOYSA-N
XLogP12.12
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.77
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-5-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 149219825
2-dibenzofuran-4-yl-4-(2,3-diphenylphenyl)-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845157
2-(3-dibenzofuran-4-ylphenyl)-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenol
CID 170926459
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
2-(2-dibenzofuran-2-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170926983
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
5-dibenzofuran-4-yl-3-(4-phenanthren-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenol
CID 170926542
2-(3-dibenzofuran-1-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol
CID 170927286
2-tert-butyl-4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 176646982
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
9-(4-dibenzofuran-4-ylphenyl)-10-naphthalen-2-ylanthracene-1,2,3,4,5,6,7,8-octol
CID 163590841

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol (CID 170927072) is 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol is Oc1cccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c1-c1ccc(-c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
The InChIKey is MUXDZNRHYJGHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O2/c51-41-17-8-16-40(43(41)32-23-21-31(22-24-32)37-14-7-15-39-38-13-5-6-18-42(38)52-44(37)39)47-49-45(35-25-19-29-9-1-3-11-33(29)27-35)48-46(50-47)36-26-20-30-10-2-4-12-34(30)28-36/h1-28,51H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol?
2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol has a molecular weight of 667.77 g/mol, XLogP of 12.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenol is sourced from PubChem (CID 170927072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).