N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

C56H43NO — CID 139568275

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)cccc21
InChIInChI=1S/C56H43NO/c1-55(2)47-26-8-7-21-46(47)52-49(55)28-15-29-51(52)57(39-30-31-43-42-20-6-9-27-48(42)56(50(43)35-39)32-10-11-33-56)38-19-12-18-37(34-38)41-23-14-25-45-44-24-13-22-40(53(44)58-54(41)45)36-16-4-3-5-17-36/h3-9,12-31,34-35H,10-11,32-33H2,1-2H3
InChIKeyYKQNGHZKBZWUAO-UHFFFAOYSA-N
MW745.97 g/mol
LogP15.54
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine

N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (PubChem CID 139568275) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
PubChem CID139568275
Molecular FormulaC56H43NO
Molecular Weight745.97 g/mol
Exact Mass745.33
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)cccc21
InChIInChI=1S/C56H43NO/c1-55(2)47-26-8-7-21-46(47)52-49(55)28-15-29-51(52)57(39-30-31-43-42-20-6-9-27-48(42)56(50(43)35-39)32-10-11-33-56)38-19-12-18-37(34-38)41-23-14-25-45-44-24-13-22-40(53(44)58-54(41)45)36-16-4-3-5-17-36/h3-9,12-31,34-35H,10-11,32-33H2,1-2H3
InChIKeyYKQNGHZKBZWUAO-UHFFFAOYSA-N
XLogP15.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]fluoren-3-amine
CID 139568121
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-4'-amine
CID 170114783
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567960
N-(9,9-dimethylfluoren-4-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217348
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-4-amine
CID 139567835
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-amine
CID 170114215
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170216462
N-(3-dibenzofuran-4-ylphenyl)-1,1,3,3-tetramethyl-N-(4-phenylphenyl)spiro[2H-cyclopenta[b]fluorene-9,1'-cyclopentane]-5-amine
CID 169029878
N-(9,9-dimethylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 167402717
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 170216091
1-N-(9,9-dimethylfluoren-2-yl)-4-N-[4-[4-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)-N-naphthalen-1-ylanilino]phenyl]phenyl]-4-N-naphthalen-1-yl-1-N-phenylbenzene-1,4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-[4-(N-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;1-N,4-N-diphenyl-4-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1-N-[4-[4-(N-[4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-spiro[cyclohexane-1,9'-fluorene]-2'-ylanilino)anilino]phenyl]phenyl]-1-N-phenyl-1-N-spiro[cyclohexane-1,9'-fluorene]-2'-ylbenzene-1,4-diamine
CID 158953049
N-(3-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170116304

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine (CID 139568275) is N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2c(N(c3cccc(-c4cccc5c4oc4c(-c6ccccc6)cccc45)c3)c3ccc4c(c3)C3(CCCC3)c3ccccc3-4)cccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
The InChIKey is YKQNGHZKBZWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-55(2)47-26-8-7-21-46(47)52-49(55)28-15-29-51(52)57(39-30-31-43-42-20-6-9-27-48(42)56(50(43)35-39)32-10-11-33-56)38-19-12-18-37(34-38)41-23-14-25-45-44-24-13-22-40(53(44)58-54(41)45)36-16-4-3-5-17-36/h3-9,12-31,34-35H,10-11,32-33H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine has a molecular weight of 745.97 g/mol, XLogP of 15.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 139568275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).