11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine

C38H26N4O2 — CID 158147449

IUPAC11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine
SMILESC1=Cc2ccc(Oc3cccc(Oc4ccccn4)c3)cc2N(N2c3ccccc3C=Cc3cccnc32)c2ccccc21
InChIInChI=1S/C38H26N4O2/c1-3-14-34-27(9-1)17-18-29-21-22-33(43-31-12-7-13-32(25-31)44-37-16-5-6-23-39-37)26-36(29)41(34)42-35-15-4-2-10-28(35)19-20-30-11-8-24-40-38(30)42/h1-26H
InChIKeyVJGVJSGQYYHWGR-UHFFFAOYSA-N
MW570.65 g/mol
LogP9.92
Rot. Bonds5

About 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine

11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine (PubChem CID 158147449) has the molecular formula C38H26N4O2 and a molecular weight of 570.65 g/mol. Its IUPAC name is 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine.

Molecular Properties

Compound Name11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine
PubChem CID158147449
Molecular FormulaC38H26N4O2
Molecular Weight570.65 g/mol
Exact Mass570.21
IUPAC Name11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine
SMILESC1=Cc2ccc(Oc3cccc(Oc4ccccn4)c3)cc2N(N2c3ccccc3C=Cc3cccnc32)c2ccccc21
InChIInChI=1S/C38H26N4O2/c1-3-14-34-27(9-1)17-18-29-21-22-33(43-31-12-7-13-32(25-31)44-37-16-5-6-23-39-37)26-36(29)41(34)42-35-15-4-2-10-28(35)19-20-30-11-8-24-40-38(30)42/h1-26H
InChIKeyVJGVJSGQYYHWGR-UHFFFAOYSA-N
XLogP9.92
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.65
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]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-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine
CID 158655530
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
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
CID 157331126
2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]-3H-imidazo[1,5-a]pyridine
CID 153428414
(3-pyridin-2-yloxyphenyl)methylidenehydrazine
CID 168530003
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190
ethane;2-phenoxypyridine
CID 90835857
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
N-(3-pyridin-2-yloxyphenyl)formamide
CID 91518983

Frequently Asked Questions

What is the IUPAC name of 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine?
The IUPAC name of 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine (CID 158147449) is 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine.
What is the SMILES notation for 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine?
The canonical SMILES for 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine is C1=Cc2ccc(Oc3cccc(Oc4ccccn4)c3)cc2N(N2c3ccccc3C=Cc3cccnc32)c2ccccc21.
What is the InChIKey of 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine?
The InChIKey is VJGVJSGQYYHWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O2/c1-3-14-34-27(9-1)17-18-29-21-22-33(43-31-12-7-13-32(25-31)44-37-16-5-6-23-39-37)26-36(29)41(34)42-35-15-4-2-10-28(35)19-20-30-11-8-24-40-38(30)42/h1-26H.
What are the key properties of 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine?
11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine has a molecular weight of 570.65 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine is sourced from PubChem (CID 158147449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).