N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine

C42H27NO2 — CID 171435515

IUPACN-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NO2/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)43(36-22-12-21-34-33-19-7-9-23-38(33)44-41(34)36)37-26-25-32(29-15-5-2-6-16-29)40-35-20-8-10-24-39(35)45-42(37)40/h1-27H
InChIKeyIZJRRSAHPKQTNX-UHFFFAOYSA-N
MW577.68 g/mol
LogP12.29
Rot. Bonds5

About N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine

N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine (PubChem CID 171435515) has the molecular formula C42H27NO2 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
PubChem CID171435515
Molecular FormulaC42H27NO2
Molecular Weight577.68 g/mol
Exact Mass577.20
IUPAC NameN-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
SMILESc1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C42H27NO2/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)43(36-22-12-21-34-33-19-7-9-23-38(33)44-41(34)36)37-26-25-32(29-15-5-2-6-16-29)40-35-20-8-10-24-39(35)45-42(37)40/h1-27H
InChIKeyIZJRRSAHPKQTNX-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-[4-[4-(N-dibenzofuran-4-yl-4-phenylanilino)-3-phenylphenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 146582246
N-dibenzofuran-4-yl-3-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171434679
N-dibenzofuran-2-yl-1-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435497
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
4-phenyl-N-(2-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069333
N-(4-dibenzofuran-4-ylphenyl)-1-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 171435159
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-[3-[2-(N-dibenzofuran-4-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 167087215
4-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069608
N-dibenzofuran-4-yl-1-[1-(N-dibenzofuran-4-ylanilino)dibenzofuran-4-yl]-N-phenyldibenzofuran-4-amine
CID 171435510
N-dibenzothiophen-2-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 171435354
N-(3-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 172502573

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine (CID 171435515) is N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine is c1ccc(-c2cccc(N(c3cccc4c3oc3ccccc34)c3ccc(-c4ccccc4)c4c3oc3ccccc34)c2)cc1.
What is the InChIKey of N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is IZJRRSAHPKQTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27NO2/c1-3-13-28(14-4-1)30-17-11-18-31(27-30)43(36-22-12-21-34-33-19-7-9-23-38(33)44-41(34)36)37-26-25-32(29-15-5-2-6-16-29)40-35-20-8-10-24-39(35)45-42(37)40/h1-27H.
What are the key properties of N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine?
N-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-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-dibenzofuran-4-yl-1-phenyl-N-(3-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 171435515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).