N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

C43H35NO — CID 165165049

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C43H35NO/c1-2-6-30(7-3-1)31-12-14-32(15-13-31)33-16-20-36(21-17-33)44(37-22-18-34(19-23-37)40-27-29-10-11-35(40)26-29)38-24-25-43-41(28-38)39-8-4-5-9-42(39)45-43/h1-9,12-25,28-29,35,40H,10-11,26-27H2
InChIKeyZJGLXUGHXHTKTL-UHFFFAOYSA-N
MW581.76 g/mol
LogP12.29
Rot. Bonds6

About N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 165165049) has the molecular formula C43H35NO and a molecular weight of 581.76 g/mol. Its IUPAC name is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID165165049
Molecular FormulaC43H35NO
Molecular Weight581.76 g/mol
Exact Mass581.27
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1
InChIInChI=1S/C43H35NO/c1-2-6-30(7-3-1)31-12-14-32(15-13-31)33-16-20-36(21-17-33)44(37-22-18-34(19-23-37)40-27-29-10-11-35(40)26-29)38-24-25-43-41(28-38)39-8-4-5-9-42(39)45-43/h1-9,12-25,28-29,35,40H,10-11,26-27H2
InChIKeyZJGLXUGHXHTKTL-UHFFFAOYSA-N
XLogP12.29
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.76
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165071
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088
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-dibenzofuran-2-ylphenyl)-5,5-dimethyldibenzothiophen-2-amine
CID 174327868
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
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
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
3-N-dibenzofuran-2-yl-1-N,1-N,3-N,5-N,5-N-pentakis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605058
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
N-dibenzofuran-2-yl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 121325419
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 165165049) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccc(C5CC6CCC5C6)cc4)c4ccc5oc6ccccc6c5c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is ZJGLXUGHXHTKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35NO/c1-2-6-30(7-3-1)31-12-14-32(15-13-31)33-16-20-36(21-17-33)44(37-22-18-34(19-23-37)40-27-29-10-11-35(40)26-29)38-24-25-43-41(28-38)39-8-4-5-9-42(39)45-43/h1-9,12-25,28-29,35,40H,10-11,26-27H2.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine has a molecular weight of 581.76 g/mol, XLogP of 12.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 165165049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).