N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline

C54H41NO2 — CID 140920872

IUPACN-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)C4CCC(c5cccc6c5oc5ccccc56)CC4)cc3)cc2)cc1
InChIInChI=1S/C54H41NO2/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50/h1-27,30-33,41,44H,28-29,34-35H2
InChIKeyBNVKWLOJKLEMSS-UHFFFAOYSA-N
MW735.93 g/mol
LogP15.35
Rot. Bonds7

About N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline

N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 140920872) has the molecular formula C54H41NO2 and a molecular weight of 735.93 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID140920872
Molecular FormulaC54H41NO2
Molecular Weight735.93 g/mol
Exact Mass735.31
IUPAC NameN-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)C4CCC(c5cccc6c5oc5ccccc56)CC4)cc3)cc2)cc1
InChIInChI=1S/C54H41NO2/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50/h1-27,30-33,41,44H,28-29,34-35H2
InChIKeyBNVKWLOJKLEMSS-UHFFFAOYSA-N
XLogP15.35
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.93
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
N-(4-dibenzofuran-4-ylcyclohexa-2,4-dien-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 134171841
N-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 122413267
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
4-[4-[6-(4-phenylphenyl)pyren-1-yl]phenyl]dibenzofuran
CID 58273601
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline (CID 140920872) is N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)C4CCC(c5cccc6c5oc5ccccc56)CC4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is BNVKWLOJKLEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41NO2/c1-2-10-36(11-3-1)37-20-22-38(23-21-37)39-24-30-42(31-25-39)55(43-32-26-40(27-33-43)45-14-8-16-49-47-12-4-6-18-51(47)56-53(45)49)44-34-28-41(29-35-44)46-15-9-17-50-48-13-5-7-19-52(48)57-54(46)50/h1-27,30-33,41,44H,28-29,34-35H2.
What are the key properties of N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline has a molecular weight of 735.93 g/mol, XLogP of 15.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylcyclohexyl)-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 140920872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).