4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

C58H35NO3 — CID 167330854

IUPAC4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESc1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)c21
InChIInChI=1S/C58H35NO3/c1-2-10-46-37(9-1)25-33-49-57-45(14-8-18-55(57)62-58(46)49)39-23-31-43(32-24-39)59(41-27-19-36(20-28-41)40-26-34-53-50(35-40)47-11-3-5-15-51(47)60-53)42-29-21-38(22-30-42)44-13-7-17-54-56(44)48-12-4-6-16-52(48)61-54/h1-35H
InChIKeyGGICUUZLTIUGAV-UHFFFAOYSA-N
MW793.92 g/mol
LogP17.01
Rot. Bonds6

About 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline

4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (PubChem CID 167330854) has the molecular formula C58H35NO3 and a molecular weight of 793.92 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
PubChem CID167330854
Molecular FormulaC58H35NO3
Molecular Weight793.92 g/mol
Exact Mass793.26
IUPAC Name4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
SMILESc1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)c21
InChIInChI=1S/C58H35NO3/c1-2-10-46-37(9-1)25-33-49-57-45(14-8-18-55(57)62-58(46)49)39-23-31-43(32-24-39)59(41-27-19-36(20-28-41)40-26-34-53-50(35-40)47-11-3-5-15-51(47)60-53)42-29-21-38(22-30-42)44-13-7-17-54-56(44)48-12-4-6-16-52(48)61-54/h1-35H
InChIKeyGGICUUZLTIUGAV-UHFFFAOYSA-N
XLogP17.01
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.92
LogP ≤ 517.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-3-phenylaniline
CID 167331100
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 166938977
N-(4-dibenzofuran-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-(4-phenylphenyl)aniline
CID 167329609
N-(4-dibenzofuran-1-ylphenyl)-4-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330776
4-dibenzofuran-2-yl-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(4-dibenzofuran-4-ylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-10-ylphenyl)aniline
CID 159634624
N-(4-dibenzofuran-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329386
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-yl-N-(4-phenanthren-2-ylphenyl)aniline
CID 167329673
N-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-4-phenanthren-2-ylaniline
CID 167331053
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline
CID 167331023
4-(4-naphthalen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenylaniline
CID 166939396
N-(4-dibenzofuran-1-ylphenyl)-4-(4-phenanthren-2-ylphenyl)-N-(4-phenanthren-3-ylphenyl)aniline
CID 176810337
N-(4-dibenzofuran-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167329508

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The IUPAC name of 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline (CID 167330854) is 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline.
What is the SMILES notation for 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The canonical SMILES for 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is c1ccc2c(c1)ccc1c2oc2cccc(-c3ccc(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4ccc(-c5cccc6oc7ccccc7c56)cc4)cc3)c21.
What is the InChIKey of 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
The InChIKey is GGICUUZLTIUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35NO3/c1-2-10-46-37(9-1)25-33-49-57-45(14-8-18-55(57)62-58(46)49)39-23-31-43(32-24-39)59(41-27-19-36(20-28-41)40-26-34-53-50(35-40)47-11-3-5-15-51(47)60-53)42-29-21-38(22-30-42)44-13-7-17-54-56(44)48-12-4-6-16-52(48)61-54/h1-35H.
What are the key properties of 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline?
4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline has a molecular weight of 793.92 g/mol, XLogP of 17.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline is sourced from PubChem (CID 167330854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).