N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine

C54H37NO — CID 172502890

IUPACN-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C54H37NO/c1-4-19-38(20-5-1)41-35-42(39-21-6-2-7-22-39)37-43(36-41)55(52-33-18-31-50-49-30-15-17-34-53(49)56-54(50)52)51-32-16-14-29-48(51)47-28-13-12-27-46(47)45-26-11-10-25-44(45)40-23-8-3-9-24-40/h1-37H
InChIKeyLBMDTKIORGAJGU-UHFFFAOYSA-N
MW715.90 g/mol
LogP15.39
Rot. Bonds8

About N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine

N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine (PubChem CID 172502890) has the molecular formula C54H37NO and a molecular weight of 715.90 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
PubChem CID172502890
Molecular FormulaC54H37NO
Molecular Weight715.90 g/mol
Exact Mass715.29
IUPAC NameN-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C54H37NO/c1-4-19-38(20-5-1)41-35-42(39-21-6-2-7-22-39)37-43(36-41)55(52-33-18-31-50-49-30-15-17-34-53(49)56-54(50)52)51-32-16-14-29-48(51)47-28-13-12-27-46(47)45-26-11-10-25-44(45)40-23-8-3-9-24-40/h1-37H
InChIKeyLBMDTKIORGAJGU-UHFFFAOYSA-N
XLogP15.39
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.90
LogP ≤ 515.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-[4-(2-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744376
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-naphthalen-2-yl-N-[2-[5-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502504
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N-(3,5-diphenylphenyl)-N-phenanthren-9-yldibenzofuran-4-amine
CID 155304515
5-N,18-N-di(dibenzofuran-4-yl)-5-N,18-N-bis(2-phenylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene-5,18-diamine
CID 121260528
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine (CID 172502890) is N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
The InChIKey is LBMDTKIORGAJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37NO/c1-4-19-38(20-5-1)41-35-42(39-21-6-2-7-22-39)37-43(36-41)55(52-33-18-31-50-49-30-15-17-34-53(49)56-54(50)52)51-32-16-14-29-48(51)47-28-13-12-27-46(47)45-26-11-10-25-44(45)40-23-8-3-9-24-40/h1-37H.
What are the key properties of N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine?
N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine has a molecular weight of 715.90 g/mol, XLogP of 15.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 172502890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).