N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline

C60H41NO — CID 164831812

IUPACN-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-5-16-42(17-6-1)43-28-33-49(34-29-43)61(51-37-39-52(45-18-7-2-8-19-45)57(41-51)47-22-11-4-12-23-47)50-35-30-44(31-36-50)48-32-38-53(56(40-48)46-20-9-3-10-21-46)54-25-15-27-59-60(54)55-24-13-14-26-58(55)62-59/h1-41H
InChIKeyLJGAYMGSCFSKOS-UHFFFAOYSA-N
MW791.99 g/mol
LogP17.06
Rot. Bonds9

About N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline

N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline (PubChem CID 164831812) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
PubChem CID164831812
Molecular FormulaC60H41NO
Molecular Weight791.99 g/mol
Exact Mass791.32
IUPAC NameN-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-5-16-42(17-6-1)43-28-33-49(34-29-43)61(51-37-39-52(45-18-7-2-8-19-45)57(41-51)47-22-11-4-12-23-47)50-35-30-44(31-36-50)48-32-38-53(56(40-48)46-20-9-3-10-21-46)54-25-15-27-59-60(54)55-24-13-14-26-58(55)62-59/h1-41H
InChIKeyLJGAYMGSCFSKOS-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-1-ylphenyl)-4-(3,4-diphenylphenyl)-N-phenylaniline
CID 164831550
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-3,4-diphenylaniline
CID 170541898
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
N-(4-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172503032
N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 170030346
3-[4-[2,4-di(dibenzofuran-2-yl)phenyl]phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449953
N-(4-dibenzofuran-1-ylphenyl)-N-(3,4-diphenylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169065438
N-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
N-(4-phenylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501001
3-[2,4-di(dibenzofuran-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)aniline
CID 121449954
3-(1-dibenzofuran-1-yldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447932
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-1-amine
CID 139297932

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline (CID 164831812) is N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc6oc7ccccc7c56)c(-c5ccccc5)c4)cc3)c3ccc(-c4ccccc4)c(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
The InChIKey is LJGAYMGSCFSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-5-16-42(17-6-1)43-28-33-49(34-29-43)61(51-37-39-52(45-18-7-2-8-19-45)57(41-51)47-22-11-4-12-23-47)50-35-30-44(31-36-50)48-32-38-53(56(40-48)46-20-9-3-10-21-46)54-25-15-27-59-60(54)55-24-13-14-26-58(55)62-59/h1-41H.
What are the key properties of N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline?
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)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-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 164831812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).