N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

C62H44N2O2 — CID 59022088

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H44N2O2/c1-41-11-25-49(26-12-41)63(53-33-19-45(20-34-53)47-23-37-61-57(39-47)55-7-3-5-9-59(55)65-61)51-29-15-43(16-30-51)44-17-31-52(32-18-44)64(50-27-13-42(2)14-28-50)54-35-21-46(22-36-54)48-24-38-62-58(40-48)56-8-4-6-10-60(56)66-62/h3-40H,1-2H3
InChIKeyYNJVKDVDPUNZAD-UHFFFAOYSA-N
MW849.05 g/mol
LogP18.04
Rot. Bonds9

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline

N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (PubChem CID 59022088) has the molecular formula C62H44N2O2 and a molecular weight of 849.05 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
PubChem CID59022088
Molecular FormulaC62H44N2O2
Molecular Weight849.05 g/mol
Exact Mass848.34
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C62H44N2O2/c1-41-11-25-49(26-12-41)63(53-33-19-45(20-34-53)47-23-37-61-57(39-47)55-7-3-5-9-59(55)65-61)51-29-15-43(16-30-51)44-17-31-52(32-18-44)64(50-27-13-42(2)14-28-50)54-35-21-46(22-36-54)48-24-38-62-58(40-48)56-8-4-6-10-60(56)66-62/h3-40H,1-2H3
InChIKeyYNJVKDVDPUNZAD-UHFFFAOYSA-N
XLogP18.04
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.05
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
3-dibenzofuran-2-yl-N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 118428337
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 161468375
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922
N-(4-dibenzofuran-2-ylphenyl)-3,5-diphenyl-N-(4-phenylphenyl)aniline
CID 118405810
3-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 118428387
N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 118405736
N-phenyl-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 174245859
N,4-diphenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;4-phenyl-N-[4-(8-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(8-phenyldibenzofuran-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158000824

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline (CID 59022088) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3)cc2)c2ccc(-c3ccc4oc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
The InChIKey is YNJVKDVDPUNZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N2O2/c1-41-11-25-49(26-12-41)63(53-33-19-45(20-34-53)47-23-37-61-57(39-47)55-7-3-5-9-59(55)65-61)51-29-15-43(16-30-51)44-17-31-52(32-18-44)64(50-27-13-42(2)14-28-50)54-35-21-46(22-36-54)48-24-38-62-58(40-48)56-8-4-6-10-60(56)66-62/h3-40H,1-2H3.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline has a molecular weight of 849.05 g/mol, XLogP of 18.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-2-ylphenyl)-N-[4-[4-(N-(4-dibenzofuran-2-ylphenyl)-4-methylanilino)phenyl]phenyl]-4-methylaniline is sourced from PubChem (CID 59022088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).