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

C60H41NO — CID 168788600

IUPACN-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-4-16-42(17-5-1)43-30-32-44(33-31-43)45-34-38-49(39-35-45)61(50-40-36-48(37-41-50)53-26-14-27-56-54-23-12-13-29-58(54)62-60(53)56)57-28-15-25-52(47-20-8-3-9-21-47)59(57)55-24-11-10-22-51(55)46-18-6-2-7-19-46/h1-41H
InChIKeyCSSHJPDEIAZUTB-UHFFFAOYSA-N
MW791.99 g/mol
LogP17.06
Rot. Bonds9

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

N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 168788600) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID168788600
Molecular FormulaC60H41NO
Molecular Weight791.99 g/mol
Exact Mass791.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-4-16-42(17-5-1)43-30-32-44(33-31-43)45-34-38-49(39-35-45)61(50-40-36-48(37-41-50)53-26-14-27-56-54-23-12-13-29-58(54)62-60(53)56)57-28-15-25-52(47-20-8-3-9-21-47)59(57)55-24-11-10-22-51(55)46-18-6-2-7-19-46/h1-41H
InChIKeyCSSHJPDEIAZUTB-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-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 168789860
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789686
N-(3-dibenzofuran-4-ylphenyl)-N,3-diphenyl-2-(2-phenylphenyl)aniline
CID 168789688
N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281522
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168791089
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N-(2-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 170666084
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline (CID 168788600) is N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4cccc(-c5ccccc5)c4-c4ccccc4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is CSSHJPDEIAZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-4-16-42(17-5-1)43-30-32-44(33-31-43)45-34-38-49(39-35-45)61(50-40-36-48(37-41-50)53-26-14-27-56-54-23-12-13-29-58(54)62-60(53)56)57-28-15-25-52(47-20-8-3-9-21-47)59(57)55-24-11-10-22-51(55)46-18-6-2-7-19-46/h1-41H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline?
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-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-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 168788600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).