N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline

C58H41NO — CID 170216790

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C58H41NO/c1-58(2)50-27-10-5-20-43(50)47-25-15-26-48(57(47)58)45-22-8-13-30-53(45)59(51-28-11-6-19-42(51)38-33-34-41-39(36-38)35-37-17-3-4-18-40(37)41)52-29-12-7-21-44(52)46-24-16-32-55-56(46)49-23-9-14-31-54(49)60-55/h3-34,36H,35H2,1-2H3
InChIKeyAOUBFUNNRNBOJK-UHFFFAOYSA-N
MW767.97 g/mol
LogP15.93
Rot. Bonds6

About N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline

N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline (PubChem CID 170216790) has the molecular formula C58H41NO and a molecular weight of 767.97 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline
PubChem CID170216790
Molecular FormulaC58H41NO
Molecular Weight767.97 g/mol
Exact Mass767.32
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)c21
InChIInChI=1S/C58H41NO/c1-58(2)50-27-10-5-20-43(50)47-25-15-26-48(57(47)58)45-22-8-13-30-53(45)59(51-28-11-6-19-42(51)38-33-34-41-39(36-38)35-37-17-3-4-18-40(37)41)52-29-12-7-21-44(52)46-24-16-32-55-56(46)49-23-9-14-31-54(49)60-55/h3-34,36H,35H2,1-2H3
InChIKeyAOUBFUNNRNBOJK-UHFFFAOYSA-N
XLogP15.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.97
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-dibenzofuran-2-yl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]aniline
CID 170143174
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170216421
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 170302488
2-dibenzofuran-1-yl-4-(12,12-dimethyl-7H-indeno[1,2-a]fluoren-9-yl)-6-phenyl-1,3,5-triazine
CID 134218172
N-(2-dibenzofuran-1-ylphenyl)-N-(3,5-diphenylphenyl)-9,9-dimethylfluoren-1-amine
CID 176583411
1-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 135131462
N-[2-dibenzofuran-1-yl-3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 167285674
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 174330715
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-amine
CID 167324779

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline (CID 170216790) is N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccccc3-c3ccc4c(c3)Cc3ccccc3-4)c3ccccc3-c3cccc4oc5ccccc5c34)c21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline?
The InChIKey is AOUBFUNNRNBOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41NO/c1-58(2)50-27-10-5-20-43(50)47-25-15-26-48(57(47)58)45-22-8-13-30-53(45)59(51-28-11-6-19-42(51)38-33-34-41-39(36-38)35-37-17-3-4-18-40(37)41)52-29-12-7-21-44(52)46-24-16-32-55-56(46)49-23-9-14-31-54(49)60-55/h3-34,36H,35H2,1-2H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline?
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline has a molecular weight of 767.97 g/mol, XLogP of 15.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline is sourced from PubChem (CID 170216790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).