N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine

C54H33NO3 — CID 176763165

IUPACN-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H33NO3/c1-2-12-34(13-3-1)37-28-30-39(35-24-26-36(27-25-35)40-17-10-18-44-42-15-5-8-21-49(42)58-54(40)44)47(32-37)55(38-29-31-43-41-14-4-7-20-48(41)57-52(43)33-38)46-19-11-23-51-53(46)45-16-6-9-22-50(45)56-51/h1-33H
InChIKeyKMVUVWSFJQMLAC-UHFFFAOYSA-N
MW743.86 g/mol
LogP15.86
Rot. Bonds6

About N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine

N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine (PubChem CID 176763165) has the molecular formula C54H33NO3 and a molecular weight of 743.86 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
PubChem CID176763165
Molecular FormulaC54H33NO3
Molecular Weight743.86 g/mol
Exact Mass743.25
IUPAC NameN-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C54H33NO3/c1-2-12-34(13-3-1)37-28-30-39(35-24-26-36(27-25-35)40-17-10-18-44-42-15-5-8-21-49(42)58-54(40)44)47(32-37)55(38-29-31-43-41-14-4-7-20-48(41)57-52(43)33-38)46-19-11-23-51-53(46)45-16-6-9-22-50(45)56-51/h1-33H
InChIKeyKMVUVWSFJQMLAC-UHFFFAOYSA-N
XLogP15.86
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.86
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]dibenzofuran-3-amine
CID 172502499
N-(4-dibenzofuran-4-ylphenyl)-N-(5-phenanthren-1-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234637
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
CID 155186822
N-dibenzofuran-4-yl-N-(4-dibenzofuran-3-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397570
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
N,N-bis[2-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 121311269
N-dibenzofuran-3-yl-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-6-phenyldibenzofuran-4-amine
CID 167397866
N-(2-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502629
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580
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-phenyl-N-[4-[5-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzofuran-1-amine
CID 167144315

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine (CID 176763165) is N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine is c1ccc(-c2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c(N(c3ccc4c(c3)oc3ccccc34)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine?
The InChIKey is KMVUVWSFJQMLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NO3/c1-2-12-34(13-3-1)37-28-30-39(35-24-26-36(27-25-35)40-17-10-18-44-42-15-5-8-21-49(42)58-54(40)44)47(32-37)55(38-29-31-43-41-14-4-7-20-48(41)57-52(43)33-38)46-19-11-23-51-53(46)45-16-6-9-22-50(45)56-51/h1-33H.
What are the key properties of N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine?
N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine has a molecular weight of 743.86 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine is sourced from PubChem (CID 176763165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).