N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C56H45N — CID 170217152

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21
InChIInChI=1S/C56H45N/c1-55(2)50-25-8-5-20-45(50)48-23-13-24-49(54(48)55)47-21-7-10-27-53(47)57(40-17-11-16-38(33-40)43-22-12-15-37-14-3-4-18-42(37)43)41-30-31-46-44-19-6-9-26-51(44)56(52(46)34-41)35-36-28-29-39(56)32-36/h3-27,30-31,33-34,36,39H,28-29,32,35H2,1-2H3
InChIKeyUHWYTRBBZGUDMN-UHFFFAOYSA-N
MW731.98 g/mol
LogP15.04
Rot. Bonds5

About N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 170217152) has the molecular formula C56H45N and a molecular weight of 731.98 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
PubChem CID170217152
Molecular FormulaC56H45N
Molecular Weight731.98 g/mol
Exact Mass731.36
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21
InChIInChI=1S/C56H45N/c1-55(2)50-25-8-5-20-45(50)48-23-13-24-49(54(48)55)47-21-7-10-27-53(47)57(40-17-11-16-38(33-40)43-22-12-15-37-14-3-4-18-42(37)43)41-30-31-46-44-19-6-9-26-51(44)56(52(46)34-41)35-36-28-29-39(56)32-36/h3-27,30-31,33-34,36,39H,28-29,32,35H2,1-2H3
InChIKeyUHWYTRBBZGUDMN-UHFFFAOYSA-N
XLogP15.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzofuran-1-amine
CID 170216548
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-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
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-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 170118198
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
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
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-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170216586

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The IUPAC name of 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) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The InChIKey is UHWYTRBBZGUDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H45N/c1-55(2)50-25-8-5-20-45(50)48-23-13-24-49(54(48)55)47-21-7-10-27-53(47)57(40-17-11-16-38(33-40)43-22-12-15-37-14-3-4-18-42(37)43)41-30-31-46-44-19-6-9-26-51(44)56(52(46)34-41)35-36-28-29-39(56)32-36/h3-27,30-31,33-34,36,39H,28-29,32,35H2,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 731.98 g/mol, XLogP of 15.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).