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

C51H33N3O2 — CID 156575051

IUPAC2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(oc5c(-c6ccc7oc8ccccc8c7c6)cccc54)c3-c3ccc(-c4ccccc4)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H33N3O2/c1-4-13-32(14-5-1)33-23-25-34(26-24-33)46-42(51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36)29-28-41-40-21-12-20-38(47(40)56-48(41)46)37-27-30-45-43(31-37)39-19-10-11-22-44(39)55-45/h1-31,51H,(H,52,53,54)
InChIKeyXALLVXLCBMZAKA-UHFFFAOYSA-N
MW719.84 g/mol
LogP12.98
Rot. Bonds6

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

2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 156575051) has the molecular formula C51H33N3O2 and a molecular weight of 719.84 g/mol. Its IUPAC name is 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
PubChem CID156575051
Molecular FormulaC51H33N3O2
Molecular Weight719.84 g/mol
Exact Mass719.26
IUPAC Name2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(oc5c(-c6ccc7oc8ccccc8c7c6)cccc54)c3-c3ccc(-c4ccccc4)cc3)NC(c3ccccc3)=N2)cc1
InChIInChI=1S/C51H33N3O2/c1-4-13-32(14-5-1)33-23-25-34(26-24-33)46-42(51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36)29-28-41-40-21-12-20-38(47(40)56-48(41)46)37-27-30-45-43(31-37)39-19-10-11-22-44(39)55-45/h1-31,51H,(H,52,53,54)
InChIKeyXALLVXLCBMZAKA-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-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
4-dibenzofuran-1-yl-6-(7-dibenzofuran-4-yldibenzofuran-2-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 166961083
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
12-[3-dibenzofuran-2-yl-4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430253
2-dibenzofuran-3-yl-4-[7-(2-dibenzofuran-2-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170192694
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-4-yl]dibenzofuran-4-yl]carbazole
CID 163775017
4-(6-dibenzofuran-3-yl-4-phenyldibenzofuran-1-yl)-2,6-bis(3-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 156575048
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-[6-dibenzofuran-2-yl-4-(3-phenylphenyl)dibenzothiophen-1-yl]-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 156574860

Frequently Asked Questions

What is the IUPAC name of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine (CID 156575051) is 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(oc5c(-c6ccc7oc8ccccc8c7c6)cccc54)c3-c3ccc(-c4ccccc4)cc3)NC(c3ccccc3)=N2)cc1.
What is the InChIKey of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is XALLVXLCBMZAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N3O2/c1-4-13-32(14-5-1)33-23-25-34(26-24-33)46-42(51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36)29-28-41-40-21-12-20-38(47(40)56-48(41)46)37-27-30-45-43(31-37)39-19-10-11-22-44(39)55-45/h1-31,51H,(H,52,53,54).
What are the key properties of 2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine?
2-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-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-[6-dibenzofuran-2-yl-4-(4-phenylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 156575051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).