N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline

C54H37NO2 — CID 154961760

IUPACN-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
SMILESC1=Cc2c(oc3ccccc23)C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)cc2)C1
InChIInChI=1S/C54H37NO2/c1-2-12-36(13-3-1)37-24-30-40(31-25-37)55(42-34-28-39(29-35-42)44-18-10-20-49-46-16-6-8-22-51(46)56-53(44)49)41-32-26-38(27-33-41)43-14-4-5-15-45(43)48-19-11-21-50-47-17-7-9-23-52(47)57-54(48)50/h1-17,19-35,44H,18H2
InChIKeyQPZUOMPKHIYWJE-UHFFFAOYSA-N
MW731.90 g/mol
LogP15.35
Rot. Bonds7

About N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline

N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline (PubChem CID 154961760) has the molecular formula C54H37NO2 and a molecular weight of 731.90 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
PubChem CID154961760
Molecular FormulaC54H37NO2
Molecular Weight731.90 g/mol
Exact Mass731.28
IUPAC NameN-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
SMILESC1=Cc2c(oc3ccccc23)C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)cc2)C1
InChIInChI=1S/C54H37NO2/c1-2-12-36(13-3-1)37-24-30-40(31-25-37)55(42-34-28-39(29-35-42)44-18-10-20-49-46-16-6-8-22-51(46)56-53(44)49)41-32-26-38(27-33-41)43-14-4-5-15-45(43)48-19-11-21-50-47-17-7-9-23-52(47)57-54(48)50/h1-17,19-35,44H,18H2
InChIKeyQPZUOMPKHIYWJE-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 ≤ 500731.90
LogP ≤ 515.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 170278129
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118186893
4-naphthalen-1-yl-N-phenyl-N-[4-(10-phenyl-9,10-dihydronaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167144605
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
N-[4-[4-(1,9b-dihydrodibenzofuran-4-yl)phenyl]phenyl]-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline
CID 130390524
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
13-N-naphthalen-2-yl-13-N,16-N,8-triphenyl-16-N,25-bis(4-phenylphenyl)-10,27-dioxaheptacyclo[15.11.0.02,14.03,11.04,9.020,28.021,26]octacosa-1,3(11),4(9),5,7,12,14,16,18,20(28),21(26),22-dodecaene-13,16-diamine
CID 163884600
N-[4-(3,4-dihydrodibenzofuran-4-yl)phenyl]-2-[4-[4-(5,6-dihydronaphthalen-1-yl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 155374491
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline (CID 154961760) is N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline is C1=Cc2c(oc3ccccc23)C(c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)cc2)C1.
What is the InChIKey of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline?
The InChIKey is QPZUOMPKHIYWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO2/c1-2-12-36(13-3-1)37-24-30-40(31-25-37)55(42-34-28-39(29-35-42)44-18-10-20-49-46-16-6-8-22-51(46)56-53(44)49)41-32-26-38(27-33-41)43-14-4-5-15-45(43)48-19-11-21-50-47-17-7-9-23-52(47)57-54(48)50/h1-17,19-35,44H,18H2.
What are the key properties of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline?
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline has a molecular weight of 731.90 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-(2-dibenzofuran-4-ylphenyl)phenyl]-4-(3,4-dihydrodibenzofuran-4-yl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 154961760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).