N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline

C54H37NO2 — CID 118148534

IUPACN-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESC1=CC2Oc3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cccc3C2C=C1
InChIInChI=1S/C54H37NO2/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/h1-35,47,51H
InChIKeyMVESFJZBTRLITE-UHFFFAOYSA-N
MW731.90 g/mol
LogP14.69
Rot. Bonds7

About N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline

N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline (PubChem CID 118148534) has the molecular formula C54H37NO2 and a molecular weight of 731.90 g/mol. Its IUPAC name is N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
PubChem CID118148534
Molecular FormulaC54H37NO2
Molecular Weight731.90 g/mol
Exact Mass731.28
IUPAC NameN-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline
SMILESC1=CC2Oc3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cccc3C2C=C1
InChIInChI=1S/C54H37NO2/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/h1-35,47,51H
InChIKeyMVESFJZBTRLITE-UHFFFAOYSA-N
XLogP14.69
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 514.69
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
3-[9-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]carbazol-3-yl]-9-(4-dibenzofuran-4-ylphenyl)carbazole
CID 142296865
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
4-(4a,9b-dihydrodibenzofuran-2-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]aniline
CID 121321591
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-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-(4-dibenzofuran-4-ylphenyl)-N-[4-[14-(4-methylphenyl)-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaenyl]phenyl]-4-phenylaniline
CID 146414892
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-(4-triphenylsilylphenyl)aniline
CID 123964845

Frequently Asked Questions

What is the IUPAC name of N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline (CID 118148534) is N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline is C1=CC2Oc3c(-c4ccc(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cccc3C2C=C1.
What is the InChIKey of N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
The InChIKey is MVESFJZBTRLITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO2/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/h1-35,47,51H.
What are the key properties of N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline?
N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline has a molecular weight of 731.90 g/mol, XLogP of 14.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5a,9a-dihydrodibenzofuran-4-yl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline is sourced from PubChem (CID 118148534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).