N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

C54H35NO2 — CID 177280900

IUPACN-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-14-36(15-4-1)38-26-29-42(30-27-38)55(47-23-10-7-20-43(47)40-28-31-45-44-21-8-11-24-49(44)57-52(45)35-40)48-32-33-51-54(46-22-9-12-25-50(46)56-51)53(48)41-19-13-18-39(34-41)37-16-5-2-6-17-37/h1-35H
InChIKeyKXSLZCNVYQTMOB-UHFFFAOYSA-N
MW729.88 g/mol
LogP15.62
Rot. Bonds7

About N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine

N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 177280900) has the molecular formula C54H35NO2 and a molecular weight of 729.88 g/mol. Its IUPAC name is N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID177280900
Molecular FormulaC54H35NO2
Molecular Weight729.88 g/mol
Exact Mass729.27
IUPAC NameN-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C54H35NO2/c1-3-14-36(15-4-1)38-26-29-42(30-27-38)55(47-23-10-7-20-43(47)40-28-31-45-44-21-8-11-24-49(44)57-52(45)35-40)48-32-33-51-54(46-22-9-12-25-50(46)56-51)53(48)41-19-13-18-39(34-41)37-16-5-2-6-17-37/h1-35H
InChIKeyKXSLZCNVYQTMOB-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-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N,2-bis(4-phenylphenyl)aniline
CID 138651234
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 174321866
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 174322022
N-(2-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 155186723
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]-2-dibenzofuran-3-yl-N-[2-(2-phenylphenyl)phenyl]aniline
CID 153314987
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502312
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(4-dibenzofuran-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]aniline
CID 168789235
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168791089
N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)aniline
CID 172501306

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 177280900) is N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccccc3-c3ccc4c(c3)oc3ccccc34)c3ccc4oc5ccccc5c4c3-c3cccc(-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is KXSLZCNVYQTMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NO2/c1-3-14-36(15-4-1)38-26-29-42(30-27-38)55(47-23-10-7-20-43(47)40-28-31-45-44-21-8-11-24-49(44)57-52(45)35-40)48-32-33-51-54(46-22-9-12-25-50(46)56-51)53(48)41-19-13-18-39(34-41)37-16-5-2-6-17-37/h1-35H.
What are the key properties of N-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine?
N-(2-dibenzofuran-3-ylphenyl)-1-(3-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-(2-dibenzofuran-3-ylphenyl)-1-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 177280900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).