N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline

C66H45NO — CID 164831971

IUPACN-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C66H45NO/c1-6-19-46(20-7-1)53-36-41-63(61(44-53)50-25-12-4-13-26-50)67(64-42-37-54(47-21-8-2-9-22-47)45-62(64)51-27-14-5-15-28-51)55-38-33-48(34-39-55)52-35-40-56(60(43-52)49-23-10-3-11-24-49)58-30-18-31-59-57-29-16-17-32-65(57)68-66(58)59/h1-45H
InChIKeyUZJIDDTXASIZAU-UHFFFAOYSA-N
MW868.09 g/mol
LogP18.72
Rot. Bonds10

About N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline

N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline (PubChem CID 164831971) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
PubChem CID164831971
Molecular FormulaC66H45NO
Molecular Weight868.09 g/mol
Exact Mass867.35
IUPAC NameN-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C66H45NO/c1-6-19-46(20-7-1)53-36-41-63(61(44-53)50-25-12-4-13-26-50)67(64-42-37-54(47-21-8-2-9-22-47)45-62(64)51-27-14-5-15-28-51)55-38-33-48(34-39-55)52-35-40-56(60(43-52)49-23-10-3-11-24-49)58-30-18-31-59-57-29-16-17-32-65(57)68-66(58)59/h1-45H
InChIKeyUZJIDDTXASIZAU-UHFFFAOYSA-N
XLogP18.72
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.09
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
2-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176763153
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-(2,4-diphenylphenyl)-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-2-amine;N-[4-(4-phenylphenyl)phenyl]-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 160906308
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
CID 154961695
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738107

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline?
The IUPAC name of N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline (CID 164831971) is N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline.
What is the SMILES notation for N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline?
The canonical SMILES for N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4)cc3-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline?
The InChIKey is UZJIDDTXASIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-6-19-46(20-7-1)53-36-41-63(61(44-53)50-25-12-4-13-26-50)67(64-42-37-54(47-21-8-2-9-22-47)45-62(64)51-27-14-5-15-28-51)55-38-33-48(34-39-55)52-35-40-56(60(43-52)49-23-10-3-11-24-49)58-30-18-31-59-57-29-16-17-32-65(57)68-66(58)59/h1-45H.
What are the key properties of N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline?
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline has a molecular weight of 868.09 g/mol, XLogP of 18.72, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline is sourced from PubChem (CID 164831971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).