N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine

C67H52N2O — CID 176611527

IUPACN-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3cccc(C4CC5CCC4C5)c3)cc2)cc1
InChIInChI=1S/C67H52N2O/c1-5-16-47(17-6-1)62-45-65(50-32-36-56(37-33-50)69(54-23-11-4-12-24-54)58-38-39-60-59-26-13-14-27-66(59)70-67(60)43-58)63(48-18-7-2-8-19-48)44-64(62)49-30-34-55(35-31-49)68(53-21-9-3-10-22-53)57-25-15-20-51(42-57)61-41-46-28-29-52(61)40-46/h1-27,30-39,42-46,52,61H,28-29,40-41H2
InChIKeyXTBRHFOYBYQTLZ-UHFFFAOYSA-N
MW901.17 g/mol
LogP19.10
Rot. Bonds11

About N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine

N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine (PubChem CID 176611527) has the molecular formula C67H52N2O and a molecular weight of 901.17 g/mol. Its IUPAC name is N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
PubChem CID176611527
Molecular FormulaC67H52N2O
Molecular Weight901.17 g/mol
Exact Mass900.41
IUPAC NameN-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3cccc(C4CC5CCC4C5)c3)cc2)cc1
InChIInChI=1S/C67H52N2O/c1-5-16-47(17-6-1)62-45-65(50-32-36-56(37-33-50)69(54-23-11-4-12-24-54)58-38-39-60-59-26-13-14-27-66(59)70-67(60)43-58)63(48-18-7-2-8-19-48)44-64(62)49-30-34-55(35-31-49)68(53-21-9-3-10-22-53)57-25-15-20-51(42-57)61-41-46-28-29-52(61)40-46/h1-27,30-39,42-46,52,61H,28-29,40-41H2
InChIKeyXTBRHFOYBYQTLZ-UHFFFAOYSA-N
XLogP19.10
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.17
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine with MolForge

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165049
N-[4-[2,5-diphenyl-4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-3-amine
CID 176611362
10-N-[2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-10-N-dibenzofuran-2-yl-3-N,3-N-diphenylphenanthrene-3,10-diamine
CID 170284197
7-(2-bicyclo[2.2.1]heptanyl)-N-(9,9-dimethylfluoren-2-yl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 169028673
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine (CID 176611527) is N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine is c1ccc(-c2cc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4ccccc45)cc3)c(-c3ccccc3)cc2-c2ccc(N(c3ccccc3)c3cccc(C4CC5CCC4C5)c3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine?
The InChIKey is XTBRHFOYBYQTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H52N2O/c1-5-16-47(17-6-1)62-45-65(50-32-36-56(37-33-50)69(54-23-11-4-12-24-54)58-38-39-60-59-26-13-14-27-66(59)70-67(60)43-58)63(48-18-7-2-8-19-48)44-64(62)49-30-34-55(35-31-49)68(53-21-9-3-10-22-53)57-25-15-20-51(42-57)61-41-46-28-29-52(61)40-46/h1-27,30-39,42-46,52,61H,28-29,40-41H2.
What are the key properties of N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine?
N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine has a molecular weight of 901.17 g/mol, XLogP of 19.10, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(N-[3-(2-bicyclo[2.2.1]heptanyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176611527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).