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

C43H35NO — CID 165165071

IUPACN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H35NO/c1-2-8-30(9-3-1)37-10-4-5-11-38(37)31-16-20-34(21-17-31)44(35-22-18-32(19-23-35)40-27-29-14-15-33(40)26-29)36-24-25-43-41(28-36)39-12-6-7-13-42(39)45-43/h1-13,16-25,28-29,33,40H,14-15,26-27H2
InChIKeyOHWSKYJZZYLWPP-UHFFFAOYSA-N
MW581.76 g/mol
LogP12.29
Rot. Bonds6

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

N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (PubChem CID 165165071) 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-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
PubChem CID165165071
Molecular FormulaC43H35NO
Molecular Weight581.76 g/mol
Exact Mass581.27
IUPAC NameN-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine
SMILESc1ccc(-c2ccccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H35NO/c1-2-8-30(9-3-1)37-10-4-5-11-38(37)31-16-20-34(21-17-31)44(35-22-18-32(19-23-35)40-27-29-14-15-33(40)26-29)36-24-25-43-41(28-36)39-12-6-7-13-42(39)45-43/h1-13,16-25,28-29,33,40H,14-15,26-27H2
InChIKeyOHWSKYJZZYLWPP-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-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 165165049
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 168771779
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088
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-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)-5,5-dimethyldibenzothiophen-2-amine
CID 174327868
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
2-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177112766
N-[8-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]dibenzofuran-1-yl]-8-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-1-amine
CID 176759825
N-[4-(1-adamantyl)phenyl]-N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-7,7-dimethylfluoreno[2,3-b][1]benzofuran-9-amine
CID 170543221
N-[4-(4-phenylphenyl)phenyl]-N-[3-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 168788653

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The IUPAC name of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine (CID 165165071) is N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine.
What is the SMILES notation for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The canonical SMILES for N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is c1ccc(-c2ccccc2-c2ccc(N(c3ccc(C4CC5CCC4C5)cc3)c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
The InChIKey is OHWSKYJZZYLWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H35NO/c1-2-8-30(9-3-1)37-10-4-5-11-38(37)31-16-20-34(21-17-31)44(35-22-18-32(19-23-35)40-27-29-14-15-33(40)26-29)36-24-25-43-41(28-36)39-12-6-7-13-42(39)45-43/h1-13,16-25,28-29,33,40H,14-15,26-27H2.
What are the key properties of N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-2-amine?
N-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]-N-[4-(2-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-(2-phenylphenyl)phenyl]dibenzofuran-2-amine is sourced from PubChem (CID 165165071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).