N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C54H35NO2 — CID 177281522

IUPACN-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)55(41-32-28-39(29-33-41)43-22-13-23-46-44-19-9-11-24-49(44)57-54(43)46)48-34-35-51-53(47-21-10-12-25-50(47)56-51)52(48)45-20-8-7-18-42(45)38-16-5-2-6-17-38/h1-35H
InChIKeyMLEFAVCEJHEZLS-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177281522) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177281522
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3-c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)55(41-32-28-39(29-33-41)43-22-13-23-46-44-19-9-11-24-49(44)57-54(43)46)48-34-35-51-53(47-21-10-12-25-50(47)56-51)52(48)45-20-8-7-18-42(45)38-16-5-2-6-17-38/h1-35H
InChIKeyMLEFAVCEJHEZLS-UHFFFAOYSA-N
XLogP15.62
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.88
LogP ≤ 515.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789686
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N-(3,4-diphenylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 177281275
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168804546
N-(4-dibenzofuran-4-ylphenyl)-16-phenyl-N-(4-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-17-amine
CID 171433536
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,5-diphenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172501827
N-(4-dibenzofuran-4-ylphenyl)-2-(2-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 168789860
4-dibenzofuran-4-yl-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 153447933
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177281522) is N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc4oc5ccccc5c4c3-c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is MLEFAVCEJHEZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)55(41-32-28-39(29-33-41)43-22-13-23-46-44-19-9-11-24-49(44)57-54(43)46)48-34-35-51-53(47-21-10-12-25-50(47)56-51)52(48)45-20-8-7-18-42(45)38-16-5-2-6-17-38/h1-35H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 729.88 g/mol, XLogP of 15.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-1-(2-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177281522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).