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

C38H26N4O — CID 158280195

IUPAC11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine
SMILESC1=Cc2ccc(N3c4ccccc4C=Cc4cccnc43)cc2N(c2cccc(Oc3ccccn3)c2)c2ccccc21
InChIInChI=1S/C38H26N4O/c1-3-14-34-27(9-1)17-18-29-21-22-32(42-35-15-4-2-10-28(35)19-20-30-11-8-24-40-38(30)42)26-36(29)41(34)31-12-7-13-33(25-31)43-37-16-5-6-23-39-37/h1-26H
InChIKeyGJVTZFPLXIZUDA-UHFFFAOYSA-N
MW554.65 g/mol
LogP10.18
Rot. Bonds4

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

11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine (PubChem CID 158280195) has the molecular formula C38H26N4O and a molecular weight of 554.65 g/mol. Its IUPAC name is 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine.

Molecular Properties

Compound Name11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine
PubChem CID158280195
Molecular FormulaC38H26N4O
Molecular Weight554.65 g/mol
Exact Mass554.21
IUPAC Name11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine
SMILESC1=Cc2ccc(N3c4ccccc4C=Cc4cccnc43)cc2N(c2cccc(Oc3ccccn3)c2)c2ccccc21
InChIInChI=1S/C38H26N4O/c1-3-14-34-27(9-1)17-18-29-21-22-32(42-35-15-4-2-10-28(35)19-20-30-11-8-24-40-38(30)42)26-36(29)41(34)31-12-7-13-33(25-31)43-37-16-5-6-23-39-37/h1-26H
InChIKeyGJVTZFPLXIZUDA-UHFFFAOYSA-N
XLogP10.18
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine
CID 158655530
11-[2-(3-pyridin-2-yloxyphenoxy)benzo[b][1]benzazepin-11-yl]pyrido[2,3-b][1]benzazepine
CID 158147449
9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 157125499
11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
CID 157331126
9-[2-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzo[b][1]benzazepin-11-yl]-[1]benzofuro[3,2-b]pyridine
CID 157107068
10-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]phenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
CID 118553245
2-(5-methyl-1,5-dihydropyrazol-2-yl)-11-(3-pyridin-2-ylphenyl)benzo[b][1]benzazepine
CID 162498306
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
11-phenylbenzo[b][1]benzazepine
CID 11514559
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190
ethane;2-phenoxypyridine
CID 90835857
6-(4-cyclopentylphenyl)-13-(3-pyridin-2-yloxyphenyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59005379

Frequently Asked Questions

What is the IUPAC name of 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine?
The IUPAC name of 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine (CID 158280195) is 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine.
What is the SMILES notation for 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine?
The canonical SMILES for 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine is C1=Cc2ccc(N3c4ccccc4C=Cc4cccnc43)cc2N(c2cccc(Oc3ccccn3)c2)c2ccccc21.
What is the InChIKey of 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine?
The InChIKey is GJVTZFPLXIZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4O/c1-3-14-34-27(9-1)17-18-29-21-22-32(42-35-15-4-2-10-28(35)19-20-30-11-8-24-40-38(30)42)26-36(29)41(34)31-12-7-13-33(25-31)43-37-16-5-6-23-39-37/h1-26H.
What are the key properties of 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine?
11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine has a molecular weight of 554.65 g/mol, XLogP of 10.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine is sourced from PubChem (CID 158280195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).