2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine

C53H32N2O — CID 163218406

IUPAC2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4ccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c5c4)ccc2C3)cc1
InChIInChI=1S/C53H32N2O/c1-3-11-32(12-4-1)51-48-31-38-20-19-34(27-44(38)52(48)55-53(54-51)33-13-5-2-6-14-33)36-22-25-49-46(29-36)47-30-37(23-26-50(47)56-49)35-21-24-43-41-17-8-7-15-39(41)40-16-9-10-18-42(40)45(43)28-35/h1-30H,31H2
InChIKeyJSHBGQFYIANGOE-UHFFFAOYSA-N
MW712.85 g/mol
LogP14.07
Rot. Bonds4

About 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine

2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine (PubChem CID 163218406) has the molecular formula C53H32N2O and a molecular weight of 712.85 g/mol. Its IUPAC name is 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine
PubChem CID163218406
Molecular FormulaC53H32N2O
Molecular Weight712.85 g/mol
Exact Mass712.25
IUPAC Name2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4ccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c5c4)ccc2C3)cc1
InChIInChI=1S/C53H32N2O/c1-3-11-32(12-4-1)51-48-31-38-20-19-34(27-44(38)52(48)55-53(54-51)33-13-5-2-6-14-33)36-22-25-49-46(29-36)47-30-37(23-26-50(47)56-49)35-21-24-43-41-17-8-7-15-39(41)40-16-9-10-18-42(40)45(43)28-35/h1-30H,31H2
InChIKeyJSHBGQFYIANGOE-UHFFFAOYSA-N
XLogP14.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 144884682
2-[8-[4-(9H-fluoren-3-yl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597292
2,4-diphenyl-6-[8-(2-triphenylen-2-ylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 146407681
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795
2-phenyl-4-(4-phenylphenyl)-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407713
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2,4-diphenyl-6-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,3,5-triazine
CID 158987075
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-dibenzofuran-2-yl-4-[3-[10-[3-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]triphenylen-2-yl]phenyl]-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 163895901
2,4-diphenyl-8-(6-triphenylen-2-yldibenzofuran-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 163218425

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine?
The IUPAC name of 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine (CID 163218406) is 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine.
What is the SMILES notation for 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine?
The canonical SMILES for 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3c(n2)-c2cc(-c4ccc5oc6ccc(-c7ccc8c9ccccc9c9ccccc9c8c7)cc6c5c4)ccc2C3)cc1.
What is the InChIKey of 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine?
The InChIKey is JSHBGQFYIANGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O/c1-3-11-32(12-4-1)51-48-31-38-20-19-34(27-44(38)52(48)55-53(54-51)33-13-5-2-6-14-33)36-22-25-49-46(29-36)47-30-37(23-26-50(47)56-49)35-21-24-43-41-17-8-7-15-39(41)40-16-9-10-18-42(40)45(43)28-35/h1-30H,31H2.
What are the key properties of 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine?
2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine has a molecular weight of 712.85 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-8-(8-triphenylen-2-yldibenzofuran-2-yl)-5H-indeno[1,2-d]pyrimidine is sourced from PubChem (CID 163218406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).