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

C61H47N — CID 166508560

IUPAC4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(CC7CCC5C7)c5ccccc5-6)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H47N/c1-3-11-43(12-4-1)45-24-32-52(33-25-45)62(54-36-28-49(29-37-54)56-16-8-7-15-55(56)48-13-5-2-6-14-48)53-34-26-46(27-35-53)44-20-22-47(23-21-44)50-30-38-58-57-17-9-10-18-59(57)61(60(58)40-50)41-42-19-31-51(61)39-42/h1-18,20-30,32-38,40,42,51H,19,31,39,41H2
InChIKeyMODHXNPQLXCQKK-UHFFFAOYSA-N
MW794.05 g/mol
LogP16.58
Rot. Bonds8

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

4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline (PubChem CID 166508560) has the molecular formula C61H47N and a molecular weight of 794.05 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
PubChem CID166508560
Molecular FormulaC61H47N
Molecular Weight794.05 g/mol
Exact Mass793.37
IUPAC Name4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(CC7CCC5C7)c5ccccc5-6)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H47N/c1-3-11-43(12-4-1)45-24-32-52(33-25-45)62(54-36-28-49(29-37-54)56-16-8-7-15-55(56)48-13-5-2-6-14-48)53-34-26-46(27-35-53)44-20-22-47(23-21-44)50-30-38-58-57-17-9-10-18-59(57)61(60(58)40-50)41-42-19-31-51(61)39-42/h1-18,20-30,32-38,40,42,51H,19,31,39,41H2
InChIKeyMODHXNPQLXCQKK-UHFFFAOYSA-N
XLogP16.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.05
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480
N-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563
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-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
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-[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
(1S,2R,3S,7R)-3,7-dimethyl-N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[bicyclo[3.3.1]nonane-2,9'-fluorene]-2'-amine
CID 168722952

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
The IUPAC name of 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) is 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline.
What is the SMILES notation for 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
The canonical SMILES for 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc6c(c5)C5(CC7CCC5C7)c5ccccc5-6)cc4)cc3)c3ccc(-c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
The InChIKey is MODHXNPQLXCQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N/c1-3-11-43(12-4-1)45-24-32-52(33-25-45)62(54-36-28-49(29-37-54)56-16-8-7-15-55(56)48-13-5-2-6-14-48)53-34-26-46(27-35-53)44-20-22-47(23-21-44)50-30-38-58-57-17-9-10-18-59(57)61(60(58)40-50)41-42-19-31-51(61)39-42/h1-18,20-30,32-38,40,42,51H,19,31,39,41H2.
What are the key properties of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline?
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline has a molecular weight of 794.05 g/mol, XLogP of 16.58, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline is sourced from PubChem (CID 166508560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).