N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane

C56H38F6N2O2 — CID 144918654

IUPACN-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CN(c1ccccc1)c1cccc2c1oc1ccccc12.FC(F)(F)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cccc12
InChIInChI=1S/C35H20F3NO.C19H15NO.C2H3F3/c36-35(37,38)28-13-5-11-25-26-12-6-14-30(34(26)40-33(25)28)39(24-9-2-1-3-10-24)29-20-18-23-16-15-21-7-4-8-22-17-19-27(29)32(23)31(21)22;1-20(14-8-3-2-4-9-14)17-12-7-11-16-15-10-5-6-13-18(15)21-19(16)17;1-2(3,4)5/h1-20H;2-13H,1H3;1H3
InChIKeyDISCRXCCETUTSR-UHFFFAOYSA-N
MW884.92 g/mol
LogP17.89
Rot. Bonds5

About N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane

N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane (PubChem CID 144918654) has the molecular formula C56H38F6N2O2 and a molecular weight of 884.92 g/mol. Its IUPAC name is N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane.

Molecular Properties

Compound NameN-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
PubChem CID144918654
Molecular FormulaC56H38F6N2O2
Molecular Weight884.92 g/mol
Exact Mass884.28
IUPAC NameN-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane
SMILESCC(F)(F)F.CN(c1ccccc1)c1cccc2c1oc1ccccc12.FC(F)(F)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cccc12
InChIInChI=1S/C35H20F3NO.C19H15NO.C2H3F3/c36-35(37,38)28-13-5-11-25-26-12-6-14-30(34(26)40-33(25)28)39(24-9-2-1-3-10-24)29-20-18-23-16-15-21-7-4-8-22-17-19-27(29)32(23)31(21)22;1-20(14-8-3-2-4-9-14)17-12-7-11-16-15-10-5-6-13-18(15)21-19(16)17;1-2(3,4)5/h1-20H;2-13H,1H3;1H3
InChIKeyDISCRXCCETUTSR-UHFFFAOYSA-N
XLogP17.89
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.92
LogP ≤ 517.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane 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

N-(3,5-dimethylphenyl)-N-pyren-1-yldibenzofuran-4-amine
CID 58461843
N-methyl-N-phenylnaphtho[1,2-b][1]benzofuran-1-amine
CID 169285523
N-(6-tert-butylpyren-1-yl)-N-dibenzofuran-4-yldibenzofuran-4-amine
CID 176881413
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
N-methyl-6-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]dibenzofuran-4-amine
CID 138651778
1-N,6-N-di(dibenzofuran-4-yl)-1-N-[4-[1-[4-[dibenzofuran-4-yl-[6-(N-dibenzofuran-4-ylanilino)pyren-1-yl]amino]phenyl]cyclopentyl]phenyl]-6-N-phenylpyrene-1,6-diamine
CID 146822139
N-phenyl-N-[6-[4-(N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012296
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
1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis[4-(2,2-dimethylpropyl)phenyl]-3,8-di(propan-2-yl)pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-bis[4-(2,2-dimethylpropyl)phenyl]pyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-1-N,6-N-diphenylpyrene-1,6-diamine;1-N,6-N-di(dibenzofuran-4-yl)-3,8-di(propan-2-yl)-1-N,6-N-bis[4-(trifluoromethyl)phenyl]pyrene-1,6-diamine
CID 157286591
7-tert-butyl-1-N,3-N-bis(6-tert-butyldibenzofuran-4-yl)-1-N,3-N-diphenylpyrene-1,3-diamine
CID 122578935
N-phenyl-N-[6-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]pyren-1-yl]dibenzofuran-4-amine
CID 118012557
1-N,6-N-diphenyl-1-N,6-N-bis(6-phenyldibenzofuran-4-yl)pyrene-1,6-diamine
CID 87619571

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane?
The IUPAC name of N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane (CID 144918654) is N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane.
What is the SMILES notation for N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane?
The canonical SMILES for N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane is CC(F)(F)F.CN(c1ccccc1)c1cccc2c1oc1ccccc12.FC(F)(F)c1cccc2c1oc1c(N(c3ccccc3)c3ccc4ccc5cccc6ccc3c4c56)cccc12.
What is the InChIKey of N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane?
The InChIKey is DISCRXCCETUTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H20F3NO.C19H15NO.C2H3F3/c36-35(37,38)28-13-5-11-25-26-12-6-14-30(34(26)40-33(25)28)39(24-9-2-1-3-10-24)29-20-18-23-16-15-21-7-4-8-22-17-19-27(29)32(23)31(21)22;1-20(14-8-3-2-4-9-14)17-12-7-11-16-15-10-5-6-13-18(15)21-19(16)17;1-2(3,4)5/h1-20H;2-13H,1H3;1H3.
What are the key properties of N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane?
N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane has a molecular weight of 884.92 g/mol, XLogP of 17.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyldibenzofuran-4-amine;N-phenyl-N-pyren-1-yl-6-(trifluoromethyl)dibenzofuran-4-amine;1,1,1-trifluoroethane is sourced from PubChem (CID 144918654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).