N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine

C59H49N — CID 170121119

IUPACN-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(CC5CCC6CC5CC3C6)c3ccccc3-4)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H49N/c1-3-15-41(16-4-1)42-29-31-47(32-30-42)60(58-26-14-12-24-55(58)52-22-10-9-21-51(52)50-20-8-7-19-49(50)43-17-5-2-6-18-43)48-33-34-54-53-23-11-13-25-56(53)59(57(54)38-48)39-44-28-27-40-35-45(44)37-46(59)36-40/h1-26,29-34,38,40,44-46H,27-28,35-37,39H2
InChIKeyIPDLBWFCFDARAD-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.94
Rot. Bonds7

About N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine

N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine (PubChem CID 170121119) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
PubChem CID170121119
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC NameN-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(CC5CCC6CC5CC3C6)c3ccccc3-4)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H49N/c1-3-15-41(16-4-1)42-29-31-47(32-30-42)60(58-26-14-12-24-55(58)52-22-10-9-21-51(52)50-20-8-7-19-49(50)43-17-5-2-6-18-43)48-33-34-54-53-23-11-13-25-56(53)59(57(54)38-48)39-44-28-27-40-35-45(44)37-46(59)36-40/h1-26,29-34,38,40,44-46H,27-28,35-37,39H2
InChIKeyIPDLBWFCFDARAD-UHFFFAOYSA-N
XLogP15.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.05
LogP ≤ 515.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
CID 156567564
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
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-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)naphthalen-2-amine
CID 156568216
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-[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
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
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-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
CID 156567937
N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168723067
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

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine?
The IUPAC name of N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine (CID 170121119) is N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(CC5CCC6CC5CC3C6)c3ccccc3-4)c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine?
The InChIKey is IPDLBWFCFDARAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-3-15-41(16-4-1)42-29-31-47(32-30-42)60(58-26-14-12-24-55(58)52-22-10-9-21-51(52)50-20-8-7-19-49(50)43-17-5-2-6-18-43)48-33-34-54-53-23-11-13-25-56(53)59(57(54)38-48)39-44-28-27-40-35-45(44)37-46(59)36-40/h1-26,29-34,38,40,44-46H,27-28,35-37,39H2.
What are the key properties of N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine?
N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine has a molecular weight of 772.05 g/mol, XLogP of 15.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine is sourced from PubChem (CID 170121119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).