2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline

C59H49N — CID 156567564

IUPAC2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54CC5CCC6CC5CC4C6)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H49N/c1-4-12-41(13-5-1)43-22-28-51(29-23-43)60(58-33-27-47(42-14-6-2-7-15-42)37-54(58)45-16-8-3-9-17-45)52-30-24-44(25-31-52)46-26-32-57-55(38-46)53-18-10-11-19-56(53)59(57)39-48-21-20-40-34-49(48)36-50(59)35-40/h1-19,22-33,37-38,40,48-50H,20-21,34-36,39H2
InChIKeyZKQDNBIBIKCAFF-UHFFFAOYSA-N
MW772.05 g/mol
LogP15.94
Rot. Bonds7

About 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline

2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline (PubChem CID 156567564) has the molecular formula C59H49N and a molecular weight of 772.05 g/mol. Its IUPAC name is 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline.

Molecular Properties

Compound Name2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
PubChem CID156567564
Molecular FormulaC59H49N
Molecular Weight772.05 g/mol
Exact Mass771.39
IUPAC Name2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54CC5CCC6CC5CC4C6)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C59H49N/c1-4-12-41(13-5-1)43-22-28-51(29-23-43)60(58-33-27-47(42-14-6-2-7-15-42)37-54(58)45-16-8-3-9-17-45)52-30-24-44(25-31-52)46-26-32-57-55(38-46)53-18-10-11-19-56(53)59(57)39-48-21-20-40-34-49(48)36-50(59)35-40/h1-19,22-33,37-38,40,48-50H,20-21,34-36,39H2
InChIKeyZKQDNBIBIKCAFF-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

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
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-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
CID 156567937
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-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-(9,9-dimethylfluoren-2-yl)-N-(2,4-diphenylphenyl)-6-phenylspiro[fluorene-9,2'-tricyclo[3.3.1.03,7]nonane]-3-amine
CID 170085576
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-[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-(2,4-diphenylphenyl)-N-(4-phenylnaphthalen-1-yl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 156567475
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
2-phenyl-N,N,4-tris(4-phenylphenyl)aniline
CID 155123029

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline?
The IUPAC name of 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline (CID 156567564) is 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline.
What is the SMILES notation for 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline?
The canonical SMILES for 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54CC5CCC6CC5CC4C6)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline?
The InChIKey is ZKQDNBIBIKCAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H49N/c1-4-12-41(13-5-1)43-22-28-51(29-23-43)60(58-33-27-47(42-14-6-2-7-15-42)37-54(58)45-16-8-3-9-17-45)52-30-24-44(25-31-52)46-26-32-57-55(38-46)53-18-10-11-19-56(53)59(57)39-48-21-20-40-34-49(48)36-50(59)35-40/h1-19,22-33,37-38,40,48-50H,20-21,34-36,39H2.
What are the key properties of 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline?
2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline 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 2,4-diphenyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-ylphenyl)aniline is sourced from PubChem (CID 156567564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).