7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine

C51H32N2O2 — CID 170301964

IUPAC7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine
SMILESC1=C(c2cccc3oc4ccccc4c23)N=C(c2cc(-c3ccc4ccccc4c3)cc3oc4ccccc4c23)N=C(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C51H32N2O2/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)43-27-28-44(39-17-10-20-47-49(39)40-15-6-8-18-45(40)54-47)53-51(52-43)42-30-38(37-26-23-33-13-4-5-14-36(33)29-37)31-48-50(42)41-16-7-9-19-46(41)55-48/h1-26,28-31H,27H2
InChIKeyIQUMHGBZGPVNQN-UHFFFAOYSA-N
MW704.83 g/mol
LogP13.65
Rot. Bonds5

About 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine

7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine (PubChem CID 170301964) has the molecular formula C51H32N2O2 and a molecular weight of 704.83 g/mol. Its IUPAC name is 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine.

Molecular Properties

Compound Name7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine
PubChem CID170301964
Molecular FormulaC51H32N2O2
Molecular Weight704.83 g/mol
Exact Mass704.25
IUPAC Name7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine
SMILESC1=C(c2cccc3oc4ccccc4c23)N=C(c2cc(-c3ccc4ccccc4c3)cc3oc4ccccc4c23)N=C(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C51H32N2O2/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)43-27-28-44(39-17-10-20-47-49(39)40-15-6-8-18-45(40)54-47)53-51(52-43)42-30-38(37-26-23-33-13-4-5-14-36(33)29-37)31-48-50(42)41-16-7-9-19-46(41)55-48/h1-26,28-31H,27H2
InChIKeyIQUMHGBZGPVNQN-UHFFFAOYSA-N
XLogP13.65
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.83
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-7-phenanthren-3-yl-4-phenyl-5H-1,3-diazepine
CID 170292490
2,4-dinaphthalen-2-yl-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 163627856
4-dibenzofuran-1-yl-2-naphthalen-2-yl-6-(3-phenyldibenzofuran-1-yl)pyrimidine
CID 174327806
2-dibenzofuran-1-yl-4-phenyl-6-[3-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 177130837
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(3-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 166742910
2-(4-naphthalen-2-ylphenyl)-4-(1-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 174259770
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
2-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-6-(3-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742796
2-dibenzofuran-1-yl-4-(3-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170927804
2-dibenzofuran-1-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 164747858
2,4-di(dibenzofuran-1-yl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-naphthalen-2-yl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 163874534
4,7-diphenyl-2-[6-(4-phenylphenyl)dibenzofuran-1-yl]-5H-1,3-diazepine
CID 170291103

Frequently Asked Questions

What is the IUPAC name of 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine?
The IUPAC name of 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine (CID 170301964) is 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine.
What is the SMILES notation for 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine?
The canonical SMILES for 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine is C1=C(c2cccc3oc4ccccc4c23)N=C(c2cc(-c3ccc4ccccc4c3)cc3oc4ccccc4c23)N=C(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine?
The InChIKey is IQUMHGBZGPVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O2/c1-2-11-32(12-3-1)34-21-24-35(25-22-34)43-27-28-44(39-17-10-20-47-49(39)40-15-6-8-18-45(40)54-47)53-51(52-43)42-30-38(37-26-23-33-13-4-5-14-36(33)29-37)31-48-50(42)41-16-7-9-19-46(41)55-48/h1-26,28-31H,27H2.
What are the key properties of 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine?
7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine has a molecular weight of 704.83 g/mol, XLogP of 13.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-dibenzofuran-1-yl-2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(4-phenylphenyl)-5H-1,3-diazepine is sourced from PubChem (CID 170301964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).