N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine

C60H43NO — CID 170216421

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5c(c4)C4(CCc6ccccc64)c4ccccc4-5)c4ccccc4-c4cccc5oc6ccccc6c45)c3)c21
InChIInChI=1S/C60H43NO/c1-59(2)51-27-9-4-20-44(51)48-25-14-23-42(58(48)59)39-17-13-18-40(36-39)61(54-29-11-6-21-46(54)47-24-15-31-56-57(47)49-22-7-12-30-55(49)62-56)41-32-33-45-43-19-5-10-28-52(43)60(53(45)37-41)35-34-38-16-3-8-26-50(38)60/h3-33,36-37H,34-35H2,1-2H3
InChIKeyMYWQMBMWFRCFOW-UHFFFAOYSA-N
MW794.01 g/mol
LogP15.96
Rot. Bonds5

About N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine

N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine (PubChem CID 170216421) has the molecular formula C60H43NO and a molecular weight of 794.01 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
PubChem CID170216421
Molecular FormulaC60H43NO
Molecular Weight794.01 g/mol
Exact Mass793.33
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5c(c4)C4(CCc6ccccc64)c4ccccc4-5)c4ccccc4-c4cccc5oc6ccccc6c45)c3)c21
InChIInChI=1S/C60H43NO/c1-59(2)51-27-9-4-20-44(51)48-25-14-23-42(58(48)59)39-17-13-18-40(36-39)61(54-29-11-6-21-46(54)47-24-15-31-56-57(47)49-22-7-12-30-55(49)62-56)41-32-33-45-43-19-5-10-28-52(43)60(53(45)37-41)35-34-38-16-3-8-26-50(38)60/h3-33,36-37H,34-35H2,1-2H3
InChIKeyMYWQMBMWFRCFOW-UHFFFAOYSA-N
XLogP15.96
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.01
LogP ≤ 515.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 174330715
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217336
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yldibenzothiophen-1-amine
CID 170216408
N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217258
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-(9H-fluoren-2-yl)aniline
CID 170216790
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzothiol-7-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170215780
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170216501
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-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217273
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzofuran-1-amine
CID 170216548
3,6-ditert-butyl-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[1,2-dihydroindene-3,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2'-amine
CID 170217357
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine (CID 170216421) is N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc5c(c4)C4(CCc6ccccc64)c4ccccc4-5)c4ccccc4-c4cccc5oc6ccccc6c45)c3)c21.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The InChIKey is MYWQMBMWFRCFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43NO/c1-59(2)51-27-9-4-20-44(51)48-25-14-23-42(58(48)59)39-17-13-18-40(36-39)61(54-29-11-6-21-46(54)47-24-15-31-56-57(47)49-22-7-12-30-55(49)62-56)41-32-33-45-43-19-5-10-28-52(43)60(53(45)37-41)35-34-38-16-3-8-26-50(38)60/h3-33,36-37H,34-35H2,1-2H3.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine has a molecular weight of 794.01 g/mol, XLogP of 15.96, 5 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-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine is sourced from PubChem (CID 170216421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).