N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

C60H41NO — CID 121311288

IUPACN-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-3-11-42(12-4-1)44-21-25-47(26-22-44)52-17-10-18-53(40-52)49-31-35-55(36-32-49)61(56-37-38-58-57-19-7-8-20-59(57)62-60(58)41-56)54-33-29-46(30-34-54)45-23-27-48(28-24-45)51-16-9-15-50(39-51)43-13-5-2-6-14-43/h1-41H
InChIKeyPAWNRKSYARFUJG-UHFFFAOYSA-N
MW791.99 g/mol
LogP17.06
Rot. Bonds9

About N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine

N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 121311288) has the molecular formula C60H41NO and a molecular weight of 791.99 g/mol. Its IUPAC name is N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
PubChem CID121311288
Molecular FormulaC60H41NO
Molecular Weight791.99 g/mol
Exact Mass791.32
IUPAC NameN-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)c3)cc2)cc1
InChIInChI=1S/C60H41NO/c1-3-11-42(12-4-1)44-21-25-47(26-22-44)52-17-10-18-53(40-52)49-31-35-55(36-32-49)61(56-37-38-58-57-19-7-8-20-59(57)62-60(58)41-56)54-33-29-46(30-34-54)45-23-27-48(28-24-45)51-16-9-15-50(39-51)43-13-5-2-6-14-43/h1-41H
InChIKeyPAWNRKSYARFUJG-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-phenylphenyl)-N-[4-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 160832647
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 121311323
N-(4-phenylphenyl)-N-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 118924585
N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311330
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
N-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 121311287
N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,3-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 161375277
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 167086964
3-[3-(N-(4-dibenzofuran-3-ylphenyl)-4-phenylanilino)phenyl]-N,N-diphenylaniline
CID 167086965
N-(3-phenylphenyl)-N-[4-[4-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[3-[4-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine;N-(4-phenylphenyl)-N-[4-[3-(4-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 158679681
N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157238587

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine (CID 121311288) is N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3cccc(-c4ccc(N(c5ccc(-c6ccc(-c7cccc(-c8ccccc8)c7)cc6)cc5)c5ccc6c(c5)oc5ccccc56)cc4)c3)cc2)cc1.
What is the InChIKey of N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is PAWNRKSYARFUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41NO/c1-3-11-42(12-4-1)44-21-25-47(26-22-44)52-17-10-18-53(40-52)49-31-35-55(36-32-49)61(56-37-38-58-57-19-7-8-20-59(57)62-60(58)41-56)54-33-29-46(30-34-54)45-23-27-48(28-24-45)51-16-9-15-50(39-51)43-13-5-2-6-14-43/h1-41H.
What are the key properties of N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine?
N-[4-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine 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-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121311288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).