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

C66H45NO — CID 121311323

IUPACN-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8cccc(-c9ccccc9)c8)cc7)cc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C66H45NO/c1-3-11-46(12-4-1)56-15-9-17-58(43-56)54-29-25-49(26-30-54)48-21-23-50(24-22-48)52-33-37-60(38-34-52)67(62-41-42-64-63-19-7-8-20-65(63)68-66(64)45-62)61-39-35-53(36-40-61)51-27-31-55(32-28-51)59-18-10-16-57(44-59)47-13-5-2-6-14-47/h1-45H
InChIKeyXCYWEVILRFOQTO-UHFFFAOYSA-N
MW868.09 g/mol
LogP18.72
Rot. Bonds10

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

N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine (PubChem CID 121311323) has the molecular formula C66H45NO and a molecular weight of 868.09 g/mol. Its IUPAC name is N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
PubChem CID121311323
Molecular FormulaC66H45NO
Molecular Weight868.09 g/mol
Exact Mass867.35
IUPAC NameN-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8cccc(-c9ccccc9)c8)cc7)cc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4)cc3)c2)cc1
InChIInChI=1S/C66H45NO/c1-3-11-46(12-4-1)56-15-9-17-58(43-56)54-29-25-49(26-30-54)48-21-23-50(24-22-48)52-33-37-60(38-34-52)67(62-41-42-64-63-19-7-8-20-65(63)68-66(64)45-62)61-39-35-53(36-40-61)51-27-31-55(32-28-51)59-18-10-16-57(44-59)47-13-5-2-6-14-47/h1-45H
InChIKeyXCYWEVILRFOQTO-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-[3-(4-phenylphenyl)phenyl]phenyl]-N-[4-[4-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 121311288
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-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-dibenzofuran-3-yl-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808582
N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118186800
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-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine (CID 121311323) is N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc(-c3ccc(-c4ccc(-c5ccc(N(c6ccc(-c7ccc(-c8cccc(-c9ccccc9)c8)cc7)cc6)c6ccc7c(c6)oc6ccccc67)cc5)cc4)cc3)c2)cc1.
What is the InChIKey of N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?
The InChIKey is XCYWEVILRFOQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45NO/c1-3-11-46(12-4-1)56-15-9-17-58(43-56)54-29-25-49(26-30-54)48-21-23-50(24-22-48)52-33-37-60(38-34-52)67(62-41-42-64-63-19-7-8-20-65(63)68-66(64)45-62)61-39-35-53(36-40-61)51-27-31-55(32-28-51)59-18-10-16-57(44-59)47-13-5-2-6-14-47/h1-45H.
What are the key properties of N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine?
N-[4-[4-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine 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-(3-phenylphenyl)phenyl]phenyl]-N-[4-[4-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 121311323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).