N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline

C53H37NO — CID 155119877

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
SMILESCc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cccc2c1
InChIInChI=1S/C53H37NO/c1-36-17-34-48-43(35-36)11-7-13-47(48)41-20-18-38(19-21-41)40-24-30-45(31-25-40)54(44-28-22-39(23-29-44)37-9-3-2-4-10-37)46-32-26-42(27-33-46)49-14-8-15-51-50-12-5-6-16-52(50)55-53(49)51/h2-35H,1H3
InChIKeyPDPFRRDELLFFFZ-UHFFFAOYSA-N
MW703.89 g/mol
LogP15.19
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline (PubChem CID 155119877) has the molecular formula C53H37NO and a molecular weight of 703.89 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
PubChem CID155119877
Molecular FormulaC53H37NO
Molecular Weight703.89 g/mol
Exact Mass703.29
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline
SMILESCc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cccc2c1
InChIInChI=1S/C53H37NO/c1-36-17-34-48-43(35-36)11-7-13-47(48)41-20-18-38(19-21-41)40-24-30-45(31-25-40)54(44-28-22-39(23-29-44)37-9-3-2-4-10-37)46-32-26-42(27-33-46)49-14-8-15-51-50-12-5-6-16-52(50)55-53(49)51/h2-35H,1H3
InChIKeyPDPFRRDELLFFFZ-UHFFFAOYSA-N
XLogP15.19
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 515.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3-dibenzofuran-4-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 126709628
3-N-(4-dibenzofuran-4-ylphenyl)-1-N,5-N-bis(4-naphthalen-1-ylphenyl)-1-N,5-N-diphenyl-3-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393698
N-[4-[4-(3-dibenzofuran-4-ylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 121299017
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(2-methyl-4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119848
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 157200619
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-phenylaniline
CID 162494606
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-4-yl-N,N-bis[4-[3-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-[4-(4-methylphenyl)phenyl]phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(2-phenylphenyl)phenyl]aniline;3-dibenzofuran-4-yl-N,N-bis[4-(3-phenylphenyl)phenyl]aniline
CID 162075230
N-(4-dibenzofuran-4-ylphenyl)-2-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 155119854
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 118405762

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline (CID 155119877) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline is Cc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
The InChIKey is PDPFRRDELLFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H37NO/c1-36-17-34-48-43(35-36)11-7-13-47(48)41-20-18-38(19-21-41)40-24-30-45(31-25-40)54(44-28-22-39(23-29-44)37-9-3-2-4-10-37)46-32-26-42(27-33-46)49-14-8-15-51-50-12-5-6-16-52(50)55-53(49)51/h2-35H,1H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline has a molecular weight of 703.89 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(6-methylnaphthalen-1-yl)phenyl]phenyl]-4-phenylaniline is sourced from PubChem (CID 155119877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).