N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline

C42H29NO — CID 154961695

IUPACN-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-12-30(13-4-1)31-22-26-34(27-23-31)43(33-14-5-2-6-15-33)35-28-24-32(25-29-35)36-16-7-8-17-37(36)39-19-11-20-40-38-18-9-10-21-41(38)44-42(39)40/h1-29H
InChIKeyJUUKRDJUUNFSLF-UHFFFAOYSA-N
MW563.70 g/mol
LogP12.06
Rot. Bonds6

About N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline

N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline (PubChem CID 154961695) has the molecular formula C42H29NO and a molecular weight of 563.70 g/mol. Its IUPAC name is N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
PubChem CID154961695
Molecular FormulaC42H29NO
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC NameN-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)cc2)cc1
InChIInChI=1S/C42H29NO/c1-3-12-30(13-4-1)31-22-26-34(27-23-31)43(33-14-5-2-6-15-33)35-28-24-32(25-29-35)36-16-7-8-17-37(36)39-19-11-20-40-38-18-9-10-21-41(38)44-42(39)40/h1-29H
InChIKeyJUUKRDJUUNFSLF-UHFFFAOYSA-N
XLogP12.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;4-N-(4-dibenzofuran-4-ylphenyl)-1-N-[4-[4-(N-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-(4-dibenzofuran-4-ylphenyl)-4-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N-phenylaniline;4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 167553634
1-N,4-N-bis(4-dibenzofuran-4-ylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59022075
4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-phenylaniline
CID 59022085
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-(2-dibenzofuran-4-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 172502136
N-(4-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline;N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159404463
N-(3-dibenzofuran-4-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 172502116
N-[4-(2-phenylphenyl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 164744348
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-4-ylphenyl)-4-phenylaniline
CID 154961714
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
3-(4-dibenzofuran-4-yldibenzofuran-1-yl)-N,N-bis(4-phenylphenyl)aniline
CID 153447918
N-(4-dibenzofuran-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 168788600

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline (CID 154961695) is N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)cc2)cc1.
What is the InChIKey of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline?
The InChIKey is JUUKRDJUUNFSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29NO/c1-3-12-30(13-4-1)31-22-26-34(27-23-31)43(33-14-5-2-6-15-33)35-28-24-32(25-29-35)36-16-7-8-17-37(36)39-19-11-20-40-38-18-9-10-21-41(38)44-42(39)40/h1-29H.
What are the key properties of N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline?
N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline has a molecular weight of 563.70 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 154961695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).