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

C51H34N3O2+ — CID 145447232

IUPAC2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cccc5c34)=NC(c3ccc4oc5ccccc5c4c3)[NH2+]2)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)/p+1
InChIKeyLKFWAITWFJWMNC-UHFFFAOYSA-O
MW720.85 g/mol
LogP11.96
Rot. Bonds6

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

2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium (PubChem CID 145447232) has the molecular formula C51H34N3O2+ and a molecular weight of 720.85 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-triazin-1-ium.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium
PubChem CID145447232
Molecular FormulaC51H34N3O2+
Molecular Weight720.85 g/mol
Exact Mass720.26
IUPAC Name2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium
SMILESc1ccc(C2=NC(c3cccc4oc5c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cccc5c34)=NC(c3ccc4oc5ccccc5c4c3)[NH2+]2)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)/p+1
InChIKeyLKFWAITWFJWMNC-UHFFFAOYSA-O
XLogP11.96
TPSA67.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.85
LogP ≤ 511.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazine
CID 145447233
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
4-dibenzofuran-2-yl-2-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170293740
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
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
1,6-diphenyldibenzofuran
CID 145331756
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
2-dibenzofuran-2-yl-4-(6-dibenzofuran-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166742839
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
4-(6-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenanthren-9-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 170248125

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-triazin-1-ium?
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-triazin-1-ium (CID 145447232) is 2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium.
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-triazin-1-ium?
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-triazin-1-ium is c1ccc(C2=NC(c3cccc4oc5c(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cccc5c34)=NC(c3ccc4oc5ccccc5c4c3)[NH2+]2)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-triazin-1-ium?
The InChIKey is LKFWAITWFJWMNC-UHFFFAOYSA-O. 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)/p+1.
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-triazin-1-ium?
2-dibenzofuran-2-yl-6-phenyl-4-[6-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,2-dihydro-1,3,5-triazin-1-ium has a molecular weight of 720.85 g/mol, XLogP of 11.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 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-triazin-1-ium is sourced from PubChem (CID 145447232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).