6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane

C57H44N2O2 — CID 144918751

IUPAC6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
SMILESCC.Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H38N2O2.C2H6/c1-33-17-25-38(26-18-33)56(48-14-7-12-41-40-10-4-5-16-50(40)58-54(41)48)46-31-23-36-22-30-45-47(32-24-37-21-29-44(46)51(36)52(37)45)57(39-27-19-34(2)20-28-39)49-15-8-13-43-42-11-6-9-35(3)53(42)59-55(43)49;1-2/h4-32H,1-3H3;1-2H3
InChIKeyOJIUCNVUFXETSY-UHFFFAOYSA-N
MW788.99 g/mol
LogP17.27
Rot. Bonds6

About 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane

6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane (PubChem CID 144918751) has the molecular formula C57H44N2O2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane.

Molecular Properties

Compound Name6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
PubChem CID144918751
Molecular FormulaC57H44N2O2
Molecular Weight788.99 g/mol
Exact Mass788.34
IUPAC Name6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
SMILESCC.Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C55H38N2O2.C2H6/c1-33-17-25-38(26-18-33)56(48-14-7-12-41-40-10-4-5-16-50(40)58-54(41)48)46-31-23-36-22-30-45-47(32-24-37-21-29-44(46)51(36)52(37)45)57(39-27-19-34(2)20-28-39)49-15-8-13-43-42-11-6-9-35(3)53(42)59-55(43)49;1-2/h4-32H,1-3H3;1-2H3
InChIKeyOJIUCNVUFXETSY-UHFFFAOYSA-N
XLogP17.27
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 517.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane 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

1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-phenylphenyl)pyrene-1,6-diamine;ethane;toluene
CID 144918792
N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
1-N,6-N-di(dibenzofuran-1-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine
CID 146214369
N-[6-[4-(N-(2,4-diphenylphenyl)-4-methylanilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine;N-[6-[4-(4-methyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]-N-phenyldibenzofuran-4-amine
CID 161073690
6-N-(4-methylcyclohepta-2,4,6-trien-1-yl)-1-N,6-N-bis(6-methyldibenzofuran-4-yl)-1-N-(4-methylphenyl)pyrene-1,6-diamine
CID 144918985
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[2-[[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-yl-4-trimethylsilylanilino)pyren-1-yl]amino]phenyl]-dimethylsilyl]ethyl-dimethylsilyl]phenyl]-6-N-(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 153297607
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
1-N,6-N-bis(6-cyclohexyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane
CID 144918646
N-(19-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494
1-N,1-N,6-N,6-N-tetrakis(3-methyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 153297565
N-(6-tert-butylpyren-1-yl)-N-dibenzofuran-4-yldibenzofuran-4-amine
CID 176881413

Frequently Asked Questions

What is the IUPAC name of 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane?
The IUPAC name of 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane (CID 144918751) is 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane.
What is the SMILES notation for 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane?
The canonical SMILES for 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane is CC.Cc1ccc(N(c2ccc3ccc4c(N(c5ccc(C)cc5)c5cccc6c5oc5c(C)cccc56)ccc5ccc2c3c54)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane?
The InChIKey is OJIUCNVUFXETSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N2O2.C2H6/c1-33-17-25-38(26-18-33)56(48-14-7-12-41-40-10-4-5-16-50(40)58-54(41)48)46-31-23-36-22-30-45-47(32-24-37-21-29-44(46)51(36)52(37)45)57(39-27-19-34(2)20-28-39)49-15-8-13-43-42-11-6-9-35(3)53(42)59-55(43)49;1-2/h4-32H,1-3H3;1-2H3.
What are the key properties of 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane?
6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane has a molecular weight of 788.99 g/mol, XLogP of 17.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-dibenzofuran-4-yl-1-N-(6-methyldibenzofuran-4-yl)-1-N,6-N-bis(4-methylphenyl)pyrene-1,6-diamine;ethane is sourced from PubChem (CID 144918751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).