11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine

C40H26N4 — CID 140683290

IUPAC11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
SMILESC1=Cc2ccc(-c3ccc4ccccc4n3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C40H26N4/c1-4-12-34-27(9-1)20-23-35(42-34)30-19-18-29-17-16-28-10-2-5-13-36(28)43(38(29)25-30)31-21-22-33-32-11-3-6-14-37(32)44(39(33)26-31)40-15-7-8-24-41-40/h1-26H
InChIKeyYFQFZWGPEJETCD-UHFFFAOYSA-N
MW562.68 g/mol
LogP10.35
Rot. Bonds3

About 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine

11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine (PubChem CID 140683290) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
PubChem CID140683290
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
SMILESC1=Cc2ccc(-c3ccc4ccccc4n3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C40H26N4/c1-4-12-34-27(9-1)20-23-35(42-34)30-19-18-29-17-16-28-10-2-5-13-36(28)43(38(29)25-30)31-21-22-33-32-11-3-6-14-37(32)44(39(33)26-31)40-15-7-8-24-41-40/h1-26H
InChIKeyYFQFZWGPEJETCD-UHFFFAOYSA-N
XLogP10.35
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 140683745
2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 157153903
10,14-dipyridin-2-yl-10,14-diazapentacyclo[11.9.0.03,11.04,9.015,20]docosa-1,3(11),4,6,8,12,15,17,19,21-decaene
CID 129254941
9-pyridin-2-yl-2-(3-quinolin-2-ylphenoxy)carbazole
CID 161376299
9-isoquinolin-1-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole;platinum(2+)
CID 71478787
2-quinolin-2-yl-9-(3-quinolin-2-ylphenyl)carbazole
CID 158235124
11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
CID 157331126
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927
9,9-dibutyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772929

Frequently Asked Questions

What is the IUPAC name of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine?
The IUPAC name of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine (CID 140683290) is 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine.
What is the SMILES notation for 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine?
The canonical SMILES for 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine is C1=Cc2ccc(-c3ccc4ccccc4n3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21.
What is the InChIKey of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine?
The InChIKey is YFQFZWGPEJETCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-4-12-34-27(9-1)20-23-35(42-34)30-19-18-29-17-16-28-10-2-5-13-36(28)43(38(29)25-30)31-21-22-33-32-11-3-6-14-37(32)44(39(33)26-31)40-15-7-8-24-41-40/h1-26H.
What are the key properties of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine?
11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine has a molecular weight of 562.68 g/mol, XLogP of 10.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine is sourced from PubChem (CID 140683290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).