N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine

C65H49NO — CID 142481057

IUPACN-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C4=CCCC=C4)(c4ccccc4)c4ccccc43)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C65H49NO/c1-63(2)52-28-12-9-24-46(52)48-38-36-44(40-58(48)63)66(60-34-19-27-51-50-26-11-18-35-61(50)67-62(51)60)45-37-39-49-47-25-10-13-29-53(47)65(59(49)41-45)56-32-16-14-30-54(56)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)55-31-15-17-33-57(55)65/h3,5-7,9-11,13-27,29-41H,4,8,12,28H2,1-2H3
InChIKeyLZNCRSRQVQTRPL-UHFFFAOYSA-N
MW860.11 g/mol
LogP16.74
Rot. Bonds5

About N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine

N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine (PubChem CID 142481057) has the molecular formula C65H49NO and a molecular weight of 860.11 g/mol. Its IUPAC name is N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine
PubChem CID142481057
Molecular FormulaC65H49NO
Molecular Weight860.11 g/mol
Exact Mass859.38
IUPAC NameN-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine
SMILESCC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C4=CCCC=C4)(c4ccccc4)c4ccccc43)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C65H49NO/c1-63(2)52-28-12-9-24-46(52)48-38-36-44(40-58(48)63)66(60-34-19-27-51-50-26-11-18-35-61(50)67-62(51)60)45-37-39-49-47-25-10-13-29-53(47)65(59(49)41-45)56-32-16-14-30-54(56)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)55-31-15-17-33-57(55)65/h3,5-7,9-11,13-27,29-41H,4,8,12,28H2,1-2H3
InChIKeyLZNCRSRQVQTRPL-UHFFFAOYSA-N
XLogP16.74
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.11
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[7,8-dihydrofluorene-9,9'-fluorene]-1-amine
CID 166705641
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-methylfluoren-9-yl)dibenzofuran-2-amine
CID 169022127
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160965633
N,N-bis(9,9-dimethylfluoren-2-yl)-6-(9-phenylfluoren-9-yl)dibenzofuran-4-amine
CID 169022061
N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
N-(9,9-dimethylfluoren-2-yl)-N-[9,9-diphenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)fluoren-2-yl]dibenzofuran-4-amine
CID 170448052
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)dibenzofuran-4-amine
CID 160695433
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 118298039
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-dimethyl-7,8-dihydrofluoren-2-amine
CID 126548375

Frequently Asked Questions

What is the IUPAC name of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine (CID 142481057) is N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine is CC1(C)C2=C(C=CCC2)c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4C(C4=CCCC=C4)(c4ccccc4)c4ccccc43)c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine?
The InChIKey is LZNCRSRQVQTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49NO/c1-63(2)52-28-12-9-24-46(52)48-38-36-44(40-58(48)63)66(60-34-19-27-51-50-26-11-18-35-61(50)67-62(51)60)45-37-39-49-47-25-10-13-29-53(47)65(59(49)41-45)56-32-16-14-30-54(56)64(42-20-5-3-6-21-42,43-22-7-4-8-23-43)55-31-15-17-33-57(55)65/h3,5-7,9-11,13-27,29-41H,4,8,12,28H2,1-2H3.
What are the key properties of N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine?
N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine has a molecular weight of 860.11 g/mol, XLogP of 16.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-cyclohexa-1,5-dien-1-yl-9-phenylspiro[anthracene-10,9'-fluorene]-2'-yl)-N-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 142481057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).