9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

C36H23N3O2 — CID 157125499

IUPAC9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2ccc(Oc3ccccn3)cc2N(c2cccc(-c3cccc4oc5cccnc5c34)c2)c2ccccc21
InChIInChI=1S/C36H23N3O2/c1-2-12-30-24(8-1)16-17-25-18-19-28(40-34-15-3-4-20-37-34)23-31(25)39(30)27-10-5-9-26(22-27)29-11-6-13-32-35(29)36-33(41-32)14-7-21-38-36/h1-23H
InChIKeyMSOWORODQAJHAP-UHFFFAOYSA-N
MW529.60 g/mol
LogP9.79
Rot. Bonds4

About 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine

9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 157125499) has the molecular formula C36H23N3O2 and a molecular weight of 529.60 g/mol. Its IUPAC name is 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID157125499
Molecular FormulaC36H23N3O2
Molecular Weight529.60 g/mol
Exact Mass529.18
IUPAC Name9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESC1=Cc2ccc(Oc3ccccn3)cc2N(c2cccc(-c3cccc4oc5cccnc5c34)c2)c2ccccc21
InChIInChI=1S/C36H23N3O2/c1-2-12-30-24(8-1)16-17-25-18-19-28(40-34-15-3-4-20-37-34)23-31(25)39(30)27-10-5-9-26(22-27)29-11-6-13-32-35(29)36-33(41-32)14-7-21-38-36/h1-23H
InChIKeyMSOWORODQAJHAP-UHFFFAOYSA-N
XLogP9.79
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.60
LogP ≤ 59.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

9-[2-[(6-pyridin-2-yloxy-2-pyridinyl)oxy]benzo[b][1]benzazepin-11-yl]-[1]benzofuro[3,2-b]pyridine
CID 157107068
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
11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
CID 157331126
8-(2-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(3-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine;8-(4-carbazol-9-ylphenyl)-[1]benzofuro[3,2-b]pyridine
CID 157260018
11-[3-(3-phenoxyphenoxy)phenyl]pyrido[2,3-b][1]benzazepine
CID 158655530
2-[3-(4-dibenzofuran-3-ylpyrazol-1-yl)phenoxy]pyridine
CID 140818836
10-(8-benzo[h]quinolin-10-yldibenzofuran-2-yl)benzo[h]quinoline
CID 146301042
10-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenoxazine
CID 165060457
2-(5-methyl-1,5-dihydropyrazol-2-yl)-11-(3-pyridin-2-ylphenyl)benzo[b][1]benzazepine
CID 162498306
8-[3-(3-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-b]pyridine
CID 122688012
8-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
CID 90265549

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine (CID 157125499) is 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is C1=Cc2ccc(Oc3ccccn3)cc2N(c2cccc(-c3cccc4oc5cccnc5c34)c2)c2ccccc21.
What is the InChIKey of 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is MSOWORODQAJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3O2/c1-2-12-30-24(8-1)16-17-25-18-19-28(40-34-15-3-4-20-37-34)23-31(25)39(30)27-10-5-9-26(22-27)29-11-6-13-32-35(29)36-33(41-32)14-7-21-38-36/h1-23H.
What are the key properties of 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine?
9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 529.60 g/mol, XLogP of 9.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-pyridin-2-yloxybenzo[b][1]benzazepin-11-yl)phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 157125499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).