2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine

C51H33N3O2 — CID 145447233

IUPAC2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cccc5c34)=NC(c3ccc4oc5ccccc5c4c3)N2)cc1
InChIInChI=1S/C51H33N3O2/c1-3-11-32(12-4-1)33-21-23-34(24-22-33)35-25-27-36(28-26-35)39-16-9-17-41-47-42(18-10-20-46(47)56-48(39)41)51-53-49(37-13-5-2-6-14-37)52-50(54-51)38-29-30-45-43(31-38)40-15-7-8-19-44(40)55-45/h1-31,50H,(H,52,53,54)
InChIKeyLKFWAITWFJWMNC-UHFFFAOYSA-N
MW719.84 g/mol
LogP12.98
Rot. Bonds6

About 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine

2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (PubChem CID 145447233) has the molecular formula C51H33N3O2 and a molecular weight of 719.84 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
PubChem CID145447233
Molecular FormulaC51H33N3O2
Molecular Weight719.84 g/mol
Exact Mass719.26
IUPAC Name2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cccc5c34)=NC(c3ccc4oc5ccccc5c4c3)N2)cc1
InChIInChI=1S/C51H33N3O2/c1-3-11-32(12-4-1)33-21-23-34(24-22-33)35-25-27-36(28-26-35)39-16-9-17-41-47-42(18-10-20-46(47)56-48(39)41)51-53-49(37-13-5-2-6-14-37)52-50(54-51)38-29-30-45-43(31-38)40-15-7-8-19-44(40)55-45/h1-31,50H,(H,52,53,54)
InChIKeyLKFWAITWFJWMNC-UHFFFAOYSA-N
XLogP12.98
TPSA63.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.84
LogP ≤ 512.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-2-yl-4-[4-(4-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170294290
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
6-phenanthren-3-yl-4-[2-(6-phenyldibenzofuran-1-yl)phenyl]-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 167029607
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium
CID 145447232
4-[3-(4-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170247021
4-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170246997
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860
2-dibenzofuran-3-yl-6-naphthalen-2-yl-4-(6-phenanthren-9-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170294237

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine (CID 145447233) is 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3cccc4oc5c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cccc5c34)=NC(c3ccc4oc5ccccc5c4c3)N2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
The InChIKey is LKFWAITWFJWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O2/c1-3-11-32(12-4-1)33-21-23-34(24-22-33)35-25-27-36(28-26-35)39-16-9-17-41-47-42(18-10-20-46(47)56-48(39)41)51-53-49(37-13-5-2-6-14-37)52-50(54-51)38-29-30-45-43(31-38)40-15-7-8-19-44(40)55-45/h1-31,50H,(H,52,53,54).
What are the key properties of 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine?
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine has a molecular weight of 719.84 g/mol, XLogP of 12.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 145447233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).