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N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline

C52H33N3O2 — CID 140881800

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc3c(c2)oc2cnc(-c4cccc(N(c5ccccc5)c5cccc(-c6cc7c(cn6)oc6cc(-c8ccccc8)ccc67)c5)c4)cc23)cc1
InChIInChI=1S/C52H33N3O2/c1-4-12-34(13-5-1)36-22-24-43-45-30-47(53-32-51(45)56-49(43)28-36)38-16-10-20-41(26-38)55(40-18-8-3-9-19-40)42-21-11-17-39(27-42)48-31-46-44-25-23-37(35-14-6-2-7-15-35)29-50(44)57-52(46)33-54-48/h1-33H
InChIKeyLVWHIXCHVNQVHL-UHFFFAOYSA-N
MW731.86 g/mol
LogP14.41
Rot. Bonds7

About N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline

N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline (PubChem CID 140881800) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline.

Molecular Properties

Compound NameN-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline
PubChem CID140881800
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC NameN-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline
SMILESc1ccc(-c2ccc3c(c2)oc2cnc(-c4cccc(N(c5ccccc5)c5cccc(-c6cc7c(cn6)oc6cc(-c8ccccc8)ccc67)c5)c4)cc23)cc1
InChIInChI=1S/C52H33N3O2/c1-4-12-34(13-5-1)36-22-24-43-45-30-47(53-32-51(45)56-49(43)28-36)38-16-10-20-41(26-38)55(40-18-8-3-9-19-40)42-21-11-17-39(27-42)48-31-46-44-25-23-37(35-14-6-2-7-15-35)29-50(44)57-52(46)33-54-48/h1-33H
InChIKeyLVWHIXCHVNQVHL-UHFFFAOYSA-N
XLogP14.41
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline?
The IUPAC name of N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline (CID 140881800) is N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline.
What is the SMILES notation for N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline?
The canonical SMILES for N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline is c1ccc(-c2ccc3c(c2)oc2cnc(-c4cccc(N(c5ccccc5)c5cccc(-c6cc7c(cn6)oc6cc(-c8ccccc8)ccc67)c5)c4)cc23)cc1.
What is the InChIKey of N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline?
The InChIKey is LVWHIXCHVNQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-4-12-34(13-5-1)36-22-24-43-45-30-47(53-32-51(45)56-49(43)28-36)38-16-10-20-41(26-38)55(40-18-8-3-9-19-40)42-21-11-17-39(27-42)48-31-46-44-25-23-37(35-14-6-2-7-15-35)29-50(44)57-52(46)33-54-48/h1-33H.
What are the key properties of N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline?
N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline has a molecular weight of 731.86 g/mol, XLogP of 14.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)-N-[3-(7-phenyl-[1]benzofuro[2,3-c]pyridin-3-yl)phenyl]aniline is sourced from PubChem (CID 140881800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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