4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline

C52H33NO2 — CID 167143311

IUPAC4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C52H33NO2/c1-3-13-34(14-4-1)47-33-48-46-23-12-21-41(51(46)55-52(48)44-19-8-7-17-42(44)47)36-27-31-39(32-28-36)53(37-15-5-2-6-16-37)38-29-25-35(26-30-38)40-20-11-22-45-43-18-9-10-24-49(43)54-50(40)45/h1-33H
InChIKeyMBTGFRWTODYCJP-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline

4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline (PubChem CID 167143311) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
PubChem CID167143311
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC Name4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline
SMILESc1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4oc3c3ccccc23)cc1
InChIInChI=1S/C52H33NO2/c1-3-13-34(14-4-1)47-33-48-46-23-12-21-41(51(46)55-52(48)44-19-8-7-17-42(44)47)36-27-31-39(32-28-36)53(37-15-5-2-6-16-37)38-29-25-35(26-30-38)40-20-11-22-45-43-18-9-10-24-49(43)54-50(40)45/h1-33H
InChIKeyMBTGFRWTODYCJP-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzofuran-3-amine
CID 167143711
N,4-diphenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402762
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
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
N-dibenzofuran-4-yl-N,5-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167403132
3-dibenzofuran-4-yl-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 59136968
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
4-dibenzofuran-4-yl-N-(4-phenanthren-9-ylphenyl)-N-phenylaniline
CID 155303641
N-(4-phenanthren-9-ylphenyl)-N-phenyl-4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)aniline
CID 167402206
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline?
The IUPAC name of 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline (CID 167143311) is 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline.
What is the SMILES notation for 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline?
The canonical SMILES for 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline is c1ccc(-c2cc3c4cccc(-c5ccc(N(c6ccccc6)c6ccc(-c7cccc8c7oc7ccccc78)cc6)cc5)c4oc3c3ccccc23)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline?
The InChIKey is MBTGFRWTODYCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-13-34(14-4-1)47-33-48-46-23-12-21-41(51(46)55-52(48)44-19-8-7-17-42(44)47)36-27-31-39(32-28-36)53(37-15-5-2-6-16-37)38-29-25-35(26-30-38)40-20-11-22-45-43-18-9-10-24-49(43)54-50(40)45/h1-33H.
What are the key properties of 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline?
4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-N-phenyl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]aniline is sourced from PubChem (CID 167143311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).