N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine

C57H37NO2S — CID 176824535

IUPACN-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)c4oc5ccccc5c34)cc21
InChIInChI=1S/C57H37NO2S/c1-57(2)46-20-7-3-15-40(46)41-27-25-36(32-47(41)57)58(37-26-28-43-42-16-4-8-21-49(42)59-51(43)33-37)48-30-29-39(56-55(48)44-17-5-9-22-50(44)60-56)35-14-11-13-34(31-35)38-19-12-24-53-54(38)45-18-6-10-23-52(45)61-53/h3-33H,1-2H3
InChIKeyWRULIYUJDUICQK-UHFFFAOYSA-N
MW800.00 g/mol
LogP16.96
Rot. Bonds5

About N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine

N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine (PubChem CID 176824535) has the molecular formula C57H37NO2S and a molecular weight of 800.00 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
PubChem CID176824535
Molecular FormulaC57H37NO2S
Molecular Weight800.00 g/mol
Exact Mass799.25
IUPAC NameN-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)c4oc5ccccc5c34)cc21
InChIInChI=1S/C57H37NO2S/c1-57(2)46-20-7-3-15-40(46)41-27-25-36(32-47(41)57)58(37-26-28-43-42-16-4-8-21-49(42)59-51(43)33-37)48-30-29-39(56-55(48)44-17-5-9-22-50(44)60-56)35-14-11-13-34(31-35)38-19-12-24-53-54(38)45-18-6-10-23-52(45)61-53/h3-33H,1-2H3
InChIKeyWRULIYUJDUICQK-UHFFFAOYSA-N
XLogP16.96
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500800.00
LogP ≤ 516.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine 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-(9,9-dimethylfluoren-2-yl)-N-[2-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177281539
8-N-dibenzofuran-3-yl-8-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyldibenzothiophene-1,8-diamine
CID 167309913
N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-17-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-7-amine
CID 171050200
N-(9,9-dimethylfluoren-2-yl)-N-[4-[1-(2-phenylphenyl)dibenzothiophen-2-yl]phenyl]dibenzofuran-3-amine
CID 177280961
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177281165
N-(9,9-dimethylfluoren-2-yl)-N-(34-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.028,33]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),28,30,32,36-octadecaen-5-yl)dibenzofuran-3-amine
CID 130464815
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)-5-phenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 170301437
N,N-bis(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-amine;N-(4-phenylphenyl)-N-(10-thiapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-15-yl)dibenzofuran-3-amine
CID 161049325
N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-1-(3,5-diphenylphenyl)dibenzofuran-2-amine
CID 177280731
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine;N-(4-dibenzothiophen-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 158436441
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-phenyldibenzofuran-1-yl)fluoreno[4,3-b][1]benzofuran-11-amine
CID 170353074
N-(9,9-dimethylfluoren-2-yl)-4-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069471

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
The IUPAC name of N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine (CID 176824535) is N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
The canonical SMILES for N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc(-c4cccc(-c5cccc6sc7ccccc7c56)c4)c4oc5ccccc5c34)cc21.
What is the InChIKey of N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
The InChIKey is WRULIYUJDUICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2S/c1-57(2)46-20-7-3-15-40(46)41-27-25-36(32-47(41)57)58(37-26-28-43-42-16-4-8-21-49(42)59-51(43)33-37)48-30-29-39(56-55(48)44-17-5-9-22-50(44)60-56)35-14-11-13-34(31-35)38-19-12-24-53-54(38)45-18-6-10-23-52(45)61-53/h3-33H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine?
N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine has a molecular weight of 800.00 g/mol, XLogP of 16.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-4-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176824535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).