N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline

C62H41NO2 — CID 58568876

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
SMILESC=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H41NO2/c1-2-41-17-19-42(20-18-41)46-29-35-50(36-30-46)63(52-39-33-49(34-40-52)54-12-8-14-58-56-10-4-6-16-60(56)65-62(54)58)51-37-31-47(32-38-51)44-23-21-43(22-24-44)45-25-27-48(28-26-45)53-11-7-13-57-55-9-3-5-15-59(55)64-61(53)57/h2-40H,1H2
InChIKeyJCFRAGUUFDCGCF-UHFFFAOYSA-N
MW832.02 g/mol
LogP17.93
Rot. Bonds9

About N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline

N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline (PubChem CID 58568876) has the molecular formula C62H41NO2 and a molecular weight of 832.02 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
PubChem CID58568876
Molecular FormulaC62H41NO2
Molecular Weight832.02 g/mol
Exact Mass831.31
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline
SMILESC=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C62H41NO2/c1-2-41-17-19-42(20-18-41)46-29-35-50(36-30-46)63(52-39-33-49(34-40-52)54-12-8-14-58-56-10-4-6-16-60(56)65-62(54)58)51-37-31-47(32-38-51)44-23-21-43(22-24-44)45-25-27-48(28-26-45)53-11-7-13-57-55-9-3-5-15-59(55)64-61(53)57/h2-40H,1H2
InChIKeyJCFRAGUUFDCGCF-UHFFFAOYSA-N
XLogP17.93
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.02
LogP ≤ 517.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(4-ethenylphenyl)phenyl]aniline
CID 58568929
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-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-(4-dibenzofuran-4-ylphenyl)-4-methyl-N-(4-methylphenyl)aniline
CID 58113345
4-[3-dibenzofuran-4-yl-5-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;(3Z)-hexa-1,3,5-triene
CID 144795077
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-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 121381438
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
4-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]benzonitrile
CID 169061620
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline (CID 58568876) is N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline is C=Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline?
The InChIKey is JCFRAGUUFDCGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41NO2/c1-2-41-17-19-42(20-18-41)46-29-35-50(36-30-46)63(52-39-33-49(34-40-52)54-12-8-14-58-56-10-4-6-16-60(56)65-62(54)58)51-37-31-47(32-38-51)44-23-21-43(22-24-44)45-25-27-48(28-26-45)53-11-7-13-57-55-9-3-5-15-59(55)64-61(53)57/h2-40H,1H2.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline has a molecular weight of 832.02 g/mol, XLogP of 17.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-[4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-4-(4-ethenylphenyl)aniline is sourced from PubChem (CID 58568876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).