11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine

C31H22N2O2 — CID 158655530

IUPAC11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine
SMILESC1=Cc2cccnc2N(c2cccc(Oc3cccc(Oc4ccccc4)c3)c2)c2ccccc21
InChIInChI=1S/C31H22N2O2/c1-2-12-26(13-3-1)34-28-15-7-16-29(22-28)35-27-14-6-11-25(21-27)33-30-17-5-4-9-23(30)18-19-24-10-8-20-32-31(24)33/h1-22H
InChIKeyDJJGNJPAURWPIU-UHFFFAOYSA-N
MW454.53 g/mol
LogP8.62
Rot. Bonds5

About 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine

11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine (PubChem CID 158655530) has the molecular formula C31H22N2O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine.

Molecular Properties

Compound Name11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine
PubChem CID158655530
Molecular FormulaC31H22N2O2
Molecular Weight454.53 g/mol
Exact Mass454.17
IUPAC Name11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine
SMILESC1=Cc2cccnc2N(c2cccc(Oc3cccc(Oc4ccccc4)c3)c2)c2ccccc21
InChIInChI=1S/C31H22N2O2/c1-2-12-26(13-3-1)34-28-15-7-16-29(22-28)35-27-14-6-11-25(21-27)33-30-17-5-4-9-23(30)18-19-24-10-8-20-32-31(24)33/h1-22H
InChIKeyDJJGNJPAURWPIU-UHFFFAOYSA-N
XLogP8.62
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine
CID 158280195
11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine
CID 158147449
10-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]phenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
CID 118553245
11-phenylbenzo[b][1]benzazepine
CID 11514559
2-(3-phenoxyphenyl)isoindole-1,3-dione
CID 3091542
1-[3-[3-[3-[3-[3-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 69052186
2-(4-methyl-2-phenylphenyl)-2,4,15-triazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 59573371
sodium 3-(3-phenoxyphenoxy)phenolate
CID 23675667
1-[3-[4-[3-(2,5-dioxopyrrol-1-yl)phenoxy]phenoxy]phenyl]pyrrole-2,5-dione
CID 22155630
1-(3-phenoxyphenyl)imidazol-2-amine
CID 106566517
9-[2-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzo[b][1]benzazepin-11-yl]-[1]benzofuro[3,2-b]pyridine
CID 157107068
9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157125499

Frequently Asked Questions

What is the IUPAC name of 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine?
The IUPAC name of 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine (CID 158655530) is 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine.
What is the SMILES notation for 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine?
The canonical SMILES for 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine is C1=Cc2cccnc2N(c2cccc(Oc3cccc(Oc4ccccc4)c3)c2)c2ccccc21.
What is the InChIKey of 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine?
The InChIKey is DJJGNJPAURWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N2O2/c1-2-12-26(13-3-1)34-28-15-7-16-29(22-28)35-27-14-6-11-25(21-27)33-30-17-5-4-9-23(30)18-19-24-10-8-20-32-31(24)33/h1-22H.
What are the key properties of 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine?
11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine has a molecular weight of 454.53 g/mol, XLogP of 8.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine is sourced from PubChem (CID 158655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).