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

C60H41NO — CID 172502136

IUPACN-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc4-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C60H41NO/c1-3-19-42(20-4-1)45-23-17-24-46(41-45)43-37-39-47(40-38-43)61(58-35-15-12-30-53(58)55-32-18-33-56-54-31-13-16-36-59(54)62-60(55)56)57-34-14-11-29-52(57)51-28-10-9-27-50(51)49-26-8-7-25-48(49)44-21-5-2-6-22-44/h1-41H
InChIKeyZTIJRGXNDCTYAF-UHFFFAOYSA-N
MW791.99 g/mol
LogP17.06
Rot. Bonds9

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

N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (PubChem CID 172502136) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
PubChem CID172502136
Molecular FormulaC60H41NO
Molecular Weight791.99 g/mol
Exact Mass791.32
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc4-c4cccc5c4oc4ccccc45)cc3)c2)cc1
InChIInChI=1S/C60H41NO/c1-3-19-42(20-4-1)45-23-17-24-46(41-45)43-37-39-47(40-38-43)61(58-35-15-12-30-53(58)55-32-18-33-56-54-31-13-16-36-59(54)62-60(55)56)57-34-14-11-29-52(57)51-28-10-9-27-50(51)49-26-8-7-25-48(49)44-21-5-2-6-22-44/h1-41H
InChIKeyZTIJRGXNDCTYAF-UHFFFAOYSA-N
XLogP17.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.99
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168791089
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 164831971
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-(3-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501677
N-(3-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)-2-[5-phenyl-2-(2-phenylphenyl)phenyl]aniline
CID 172501323
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502890
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline (CID 172502136) is N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is c1ccc(-c2cccc(-c3ccc(N(c4ccccc4-c4ccccc4-c4ccccc4-c4ccccc4)c4ccccc4-c4cccc5c4oc4ccccc45)cc3)c2)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
The InChIKey is ZTIJRGXNDCTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-3-19-42(20-4-1)45-23-17-24-46(41-45)43-37-39-47(40-38-43)61(58-35-15-12-30-53(58)55-32-18-33-56-54-31-13-16-36-59(54)62-60(55)56)57-34-14-11-29-52(57)51-28-10-9-27-50(51)49-26-8-7-25-48(49)44-21-5-2-6-22-44/h1-41H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline?
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline has a molecular weight of 791.99 g/mol, XLogP of 17.06, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 172502136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).