N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine

C56H43NO — CID 170215940

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CC6CCC4C6)c4ccccc4-5)c4cccc5oc6c7ccccc7ccc6c45)cc3)c21
InChIInChI=1S/C56H43NO/c1-55(2)47-17-7-5-14-43(47)45-16-9-15-40(53(45)55)36-22-26-38(27-23-36)57(50-19-10-20-51-52(50)46-29-24-35-11-3-4-12-41(35)54(46)58-51)39-28-30-44-42-13-6-8-18-48(42)56(49(44)32-39)33-34-21-25-37(56)31-34/h3-20,22-24,26-30,32,34,37H,21,25,31,33H2,1-2H3
InChIKeyRYWWSLGPOCQYHP-UHFFFAOYSA-N
MW745.97 g/mol
LogP15.27
Rot. Bonds4

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 170215940) has the molecular formula C56H43NO and a molecular weight of 745.97 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID170215940
Molecular FormulaC56H43NO
Molecular Weight745.97 g/mol
Exact Mass745.33
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CC6CCC4C6)c4ccccc4-5)c4cccc5oc6c7ccccc7ccc6c45)cc3)c21
InChIInChI=1S/C56H43NO/c1-55(2)47-17-7-5-14-43(47)45-16-9-15-40(53(45)55)36-22-26-38(27-23-36)57(50-19-10-20-51-52(50)46-29-24-35-11-3-4-12-41(35)54(46)58-51)39-28-30-44-42-13-6-8-18-48(42)56(49(44)32-39)33-34-21-25-37(56)31-34/h3-20,22-24,26-30,32,34,37H,21,25,31,33H2,1-2H3
InChIKeyRYWWSLGPOCQYHP-UHFFFAOYSA-N
XLogP15.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.97
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine with MolForge

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Related Compounds

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 170218059
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzofuran-1-amine
CID 170216548
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenanthren-2-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170216571
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzothiol-7-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215897
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-1-amine
CID 166938756
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217152
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170217536
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170113458
N-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218009
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170216623

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine (CID 170215940) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc5c(c4)C4(CC6CCC4C6)c4ccccc4-5)c4cccc5oc6c7ccccc7ccc6c45)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is RYWWSLGPOCQYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43NO/c1-55(2)47-17-7-5-14-43(47)45-16-9-15-40(53(45)55)36-22-26-38(27-23-36)57(50-19-10-20-51-52(50)46-29-24-35-11-3-4-12-41(35)54(46)58-51)39-28-30-44-42-13-6-8-18-48(42)56(49(44)32-39)33-34-21-25-37(56)31-34/h3-20,22-24,26-30,32,34,37H,21,25,31,33H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 745.97 g/mol, XLogP of 15.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 170215940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).