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

C58H47N — CID 170143935

IUPACN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43CC4CCC3C4)c21
InChIInChI=1S/C58H47N/c1-57(2)49-28-11-6-21-42(49)46-26-16-27-47(56(46)57)44-23-10-15-33-54(44)59(52-31-13-8-20-41(52)39-18-4-3-5-19-39)53-32-14-9-22-43(53)45-25-17-30-51-55(45)48-24-7-12-29-50(48)58(51)37-38-34-35-40(58)36-38/h3-33,38,40H,34-37H2,1-2H3
InChIKeyILWNPACYSPRILD-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.55
Rot. Bonds6

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

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline (PubChem CID 170143935) 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]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline
PubChem CID170143935
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC NameN-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43CC4CCC3C4)c21
InChIInChI=1S/C58H47N/c1-57(2)49-28-11-6-21-42(49)46-26-16-27-47(56(46)57)44-23-10-15-33-54(44)59(52-31-13-8-20-41(52)39-18-4-3-5-19-39)53-32-14-9-22-43(53)45-25-17-30-51-55(45)48-24-7-12-29-50(48)58(51)37-38-34-35-40(58)36-38/h3-33,38,40H,34-37H2,1-2H3
InChIKeyILWNPACYSPRILD-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-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
N-(9,9-dimethylfluoren-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
CID 170143655
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635
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-[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
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-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-3-phenyl-N,2-bis(2-phenylphenyl)aniline
CID 168790921
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline?
The IUPAC name of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline (CID 170143935) is N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline is CC1(C)c2ccccc2-c2cccc(-c3ccccc3N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43CC4CCC3C4)c21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline?
The InChIKey is ILWNPACYSPRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-57(2)49-28-11-6-21-42(49)46-26-16-27-47(56(46)57)44-23-10-15-33-54(44)59(52-31-13-8-20-41(52)39-18-4-3-5-19-39)53-32-14-9-22-43(53)45-25-17-30-51-55(45)48-24-7-12-29-50(48)58(51)37-38-34-35-40(58)36-38/h3-33,38,40H,34-37H2,1-2H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline?
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline 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]-2-phenyl-N-(2-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)aniline is sourced from PubChem (CID 170143935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).