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

C58H47N — CID 170217106

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21
InChIInChI=1S/C58H47N/c1-57(2)52-20-9-6-16-47(52)50-18-12-19-51(56(50)57)49-17-8-11-22-55(49)59(44-31-28-42(29-32-44)41-26-24-40(25-27-41)39-13-4-3-5-14-39)45-33-34-48-46-15-7-10-21-53(46)58(54(48)36-45)37-38-23-30-43(58)35-38/h3-22,24-29,31-34,36,38,43H,23,30,35,37H2,1-2H3
InChIKeyBOXDVJFXPHPBKJ-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.55
Rot. Bonds6

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 170217106) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
PubChem CID170217106
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21
InChIInChI=1S/C58H47N/c1-57(2)52-20-9-6-16-47(52)50-18-12-19-51(56(50)57)49-17-8-11-22-55(49)59(44-31-28-42(29-32-44)41-26-24-40(25-27-41)39-13-4-3-5-14-39)45-33-34-48-46-15-7-10-21-53(46)58(54(48)36-45)37-38-23-30-43(58)35-38/h3-22,24-29,31-34,36,38,43H,23,30,35,37H2,1-2H3
InChIKeyBOXDVJFXPHPBKJ-UHFFFAOYSA-N
XLogP15.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217152
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-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215903
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
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-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
CID 166508588
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-[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-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The IUPAC name of 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) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]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-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3ccc4c(c3)C3(CC5CCC3C5)c3ccccc3-4)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The InChIKey is BOXDVJFXPHPBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-57(2)52-20-9-6-16-47(52)50-18-12-19-51(56(50)57)49-17-8-11-22-55(49)59(44-31-28-42(29-32-44)41-26-24-40(25-27-41)39-13-4-3-5-14-39)45-33-34-48-46-15-7-10-21-53(46)58(54(48)36-45)37-38-23-30-43(58)35-38/h3-22,24-29,31-34,36,38,43H,23,30,35,37H2,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 758.02 g/mol, XLogP of 15.55, 6 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-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 170217106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).