5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine

C45H30N4O — CID 123257691

IUPAC5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccn(-c7ccccc7)c7ccccc7cc6)cc5c4c3)n2)cc1
InChIInChI=1S/C45H30N4O/c1-4-14-33(15-5-1)43-46-44(34-16-6-2-7-17-34)48-45(47-43)36-25-27-42-39(30-36)38-29-35(24-26-41(38)50-42)31-18-12-28-49(37-19-8-3-9-20-37)40-21-11-10-13-32(40)23-22-31/h1-30H/b23-22-,28-12-,31-18+
InChIKeyAMIGNTQFYVZIQH-PTZHGITJSA-N
MW642.76 g/mol
LogP11.51
Rot. Bonds5

About 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine

5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine (PubChem CID 123257691) has the molecular formula C45H30N4O and a molecular weight of 642.76 g/mol. Its IUPAC name is 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine.

Molecular Properties

Compound Name5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine
PubChem CID123257691
Molecular FormulaC45H30N4O
Molecular Weight642.76 g/mol
Exact Mass642.24
IUPAC Name5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccn(-c7ccccc7)c7ccccc7cc6)cc5c4c3)n2)cc1
InChIInChI=1S/C45H30N4O/c1-4-14-33(15-5-1)43-46-44(34-16-6-2-7-17-34)48-45(47-43)36-25-27-42-39(30-36)38-29-35(24-26-41(38)50-42)31-18-12-28-49(37-19-8-3-9-20-37)40-21-11-10-13-32(40)23-22-31/h1-30H/b23-22-,28-12-,31-18+
InChIKeyAMIGNTQFYVZIQH-PTZHGITJSA-N
XLogP11.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.76
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine with MolForge

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Launch Full Analysis

Related Compounds

7-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[2,3-b]carbazole
CID 163573968
2-phenyl-4-[8-(4-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 176616854
2,4-diphenyl-6-[7-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166009504
2-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155050267
2-phenyl-4-(4-phenylphenyl)-6-[7-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155773120
2-(8-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167402984
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163505660
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163842571
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915

Frequently Asked Questions

What is the IUPAC name of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine?
The IUPAC name of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine (CID 123257691) is 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine.
What is the SMILES notation for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine?
The canonical SMILES for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(-c6cccn(-c7ccccc7)c7ccccc7cc6)cc5c4c3)n2)cc1.
What is the InChIKey of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine?
The InChIKey is AMIGNTQFYVZIQH-PTZHGITJSA-N. The full InChI is InChI=1S/C45H30N4O/c1-4-14-33(15-5-1)43-46-44(34-16-6-2-7-17-34)48-45(47-43)36-25-27-42-39(30-36)38-29-35(24-26-41(38)50-42)31-18-12-28-49(37-19-8-3-9-20-37)40-21-11-10-13-32(40)23-22-31/h1-30H/b23-22-,28-12-,31-18+.
What are the key properties of 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine?
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine has a molecular weight of 642.76 g/mol, XLogP of 11.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1-phenyl-1-benzazonine is sourced from PubChem (CID 123257691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).