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

C42H27NO2 — CID 155186822

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C42H27NO2/c1-2-13-28(14-3-1)31-17-4-7-22-36(31)43(37-23-12-26-40-41(37)35-19-6-9-25-39(35)44-40)30-16-10-15-29(27-30)32-20-11-21-34-33-18-5-8-24-38(33)45-42(32)34/h1-27H
InChIKeyNWBLWWUTBKMONV-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.29
Rot. Bonds5

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

N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine (PubChem CID 155186822) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
PubChem CID155186822
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine
SMILESc1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C42H27NO2/c1-2-13-28(14-3-1)31-17-4-7-22-36(31)43(37-23-12-26-40-41(37)35-19-6-9-25-39(35)44-40)30-16-10-15-29(27-30)32-20-11-21-34-33-18-5-8-24-38(33)45-42(32)34/h1-27H
InChIKeyNWBLWWUTBKMONV-UHFFFAOYSA-N
XLogP12.29
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.68
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172500844
2-(3-dibenzofuran-4-ylphenyl)-N,N-bis(3-phenylphenyl)aniline
CID 126709658
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-4-amine
CID 130465131
N-dibenzofuran-1-yl-N-(2-phenylphenyl)-28-oxaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.027,35.029,34]heptatriaconta-1(26),2(7),3,5,8,10,12,14,16,18,20,22,24,27(35),29,31,33,36-octadecaen-5-amine
CID 130464712
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069333
N-dibenzofuran-1-yl-N-[2-(4-dibenzofuran-4-ylphenyl)-5-phenylphenyl]dibenzofuran-3-amine
CID 176763165
N-dibenzofuran-1-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397482
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
N-(4-dibenzofuran-4-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 122675345
N-(2-dibenzofuran-1-ylphenyl)-N-phenyldibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158387257

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine (CID 155186822) is N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine is c1ccc(-c2ccccc2N(c2cccc(-c3cccc4c3oc3ccccc34)c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is NWBLWWUTBKMONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-2-13-28(14-3-1)31-17-4-7-22-36(31)43(37-23-12-26-40-41(37)35-19-6-9-25-39(35)44-40)30-16-10-15-29(27-30)32-20-11-21-34-33-18-5-8-24-38(33)45-42(32)34/h1-27H.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine?
N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 577.68 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 155186822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).