3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

C61H39NO2 — CID 121381580

IUPAC3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H39NO2/c1-2-15-43(16-3-1)61(55-24-8-4-18-49(55)50-19-5-9-25-56(50)61)44-31-35-46(36-32-44)62(45-33-28-40(29-34-45)41-30-37-59-54(39-41)52-21-7-10-26-57(52)63-59)47-17-12-14-42(38-47)48-22-13-23-53-51-20-6-11-27-58(51)64-60(48)53/h1-39H
InChIKeyZTYIPCKXZFBGGX-UHFFFAOYSA-N
MW817.99 g/mol
LogP16.65
Rot. Bonds7

About 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline

3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (PubChem CID 121381580) has the molecular formula C61H39NO2 and a molecular weight of 817.99 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
PubChem CID121381580
Molecular FormulaC61H39NO2
Molecular Weight817.99 g/mol
Exact Mass817.30
IUPAC Name3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
SMILESc1ccc(C2(c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C61H39NO2/c1-2-15-43(16-3-1)61(55-24-8-4-18-49(55)50-19-5-9-25-56(50)61)44-31-35-46(36-32-44)62(45-33-28-40(29-34-45)41-30-37-59-54(39-41)52-21-7-10-26-57(52)63-59)47-17-12-14-42(38-47)48-22-13-23-53-51-20-6-11-27-58(51)64-60(48)53/h1-39H
InChIKeyZTYIPCKXZFBGGX-UHFFFAOYSA-N
XLogP16.65
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.99
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]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-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 157370193
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-(9,9-diphenylfluoren-3-yl)aniline
CID 121424769
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-3-(4-phenylphenyl)aniline
CID 121381640
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121425114
N-(3-dibenzofuran-4-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-phenylaniline
CID 168839908
N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-(3-phenylphenyl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(2-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 161367411
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 121381687
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N,4-diphenylaniline
CID 164769137
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
9,9-diphenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-3-amine
CID 168805222
N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164768992
3-N-dibenzofuran-2-yl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]-1-N-(3-phenylphenyl)-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155096723

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline (CID 121381580) is 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is c1ccc(C2(c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc(-c5cccc6c5oc5ccccc56)c4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
The InChIKey is ZTYIPCKXZFBGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2/c1-2-15-43(16-3-1)61(55-24-8-4-18-49(55)50-19-5-9-25-56(50)61)44-31-35-46(36-32-44)62(45-33-28-40(29-34-45)41-30-37-59-54(39-41)52-21-7-10-26-57(52)63-59)47-17-12-14-42(38-47)48-22-13-23-53-51-20-6-11-27-58(51)64-60(48)53/h1-39H.
What are the key properties of 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline?
3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline has a molecular weight of 817.99 g/mol, XLogP of 16.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline is sourced from PubChem (CID 121381580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).