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

C57H39NOS — CID 168839696

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc21
InChIInChI=1S/C57H39NOS/c1-57(2)50-15-7-3-12-44(50)48-34-40(24-31-51(48)57)43-11-4-8-16-52(43)58(41-26-19-36(20-27-41)38-25-32-54-49(33-38)45-13-5-9-17-53(45)59-54)42-28-21-37(22-29-42)39-23-30-47-46-14-6-10-18-55(46)60-56(47)35-39/h3-35H,1-2H3
InChIKeyXHCCZBSTCFGVDL-UHFFFAOYSA-N
MW786.01 g/mol
LogP16.73
Rot. Bonds6

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

N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline (PubChem CID 168839696) has the molecular formula C57H39NOS and a molecular weight of 786.01 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
PubChem CID168839696
Molecular FormulaC57H39NOS
Molecular Weight786.01 g/mol
Exact Mass785.28
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline
SMILESCC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc21
InChIInChI=1S/C57H39NOS/c1-57(2)50-15-7-3-12-44(50)48-34-40(24-31-51(48)57)43-11-4-8-16-52(43)58(41-26-19-36(20-27-41)38-25-32-54-49(33-38)45-13-5-9-17-53(45)59-54)42-28-21-37(22-29-42)39-23-30-47-46-14-6-10-18-55(46)60-56(47)35-39/h3-35H,1-2H3
InChIKeyXHCCZBSTCFGVDL-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.01
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline 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-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-16-phenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-7-amine
CID 171050290
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)dibenzothiophen-3-amine
CID 176583109
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-4-phenylaniline
CID 129085281
2-dibenzothiophen-3-yl-N-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 168839739
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-9,9-dimethylfluoren-4-amine
CID 168840172
N-(4-dibenzofuran-2-ylphenyl)-N-(3,5-diphenylphenyl)dibenzofuran-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-1-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-naphthalen-2-yldibenzothiophen-3-amine;N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 161474432
4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)-N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)aniline
CID 168839647
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168839548
N-[4-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-3-yl)phenyl]-N-(4-dibenzothiophen-3-ylphenyl)-3-phenylaniline
CID 168839723
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 67964223
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159548995

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline (CID 168839696) is N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline is CC1(C)c2ccccc2-c2cc(-c3ccccc3N(c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc21.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline?
The InChIKey is XHCCZBSTCFGVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NOS/c1-57(2)50-15-7-3-12-44(50)48-34-40(24-31-51(48)57)43-11-4-8-16-52(43)58(41-26-19-36(20-27-41)38-25-32-54-49(33-38)45-13-5-9-17-53(45)59-54)42-28-21-37(22-29-42)39-23-30-47-46-14-6-10-18-55(46)60-56(47)35-39/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline?
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline has a molecular weight of 786.01 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-2-(9,9-dimethylfluoren-3-yl)aniline is sourced from PubChem (CID 168839696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).