11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine

C36H24N4O — CID 157331126

IUPAC11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
SMILESC1=Cc2ccc(-n3c4ccccc4c4ccc(Oc5ccccn5)cc43)cc2N(c2ccccn2)c2ccccc21
InChIInChI=1S/C36H24N4O/c1-3-11-31-25(9-1)15-16-26-17-18-27(23-33(26)40(31)35-13-5-7-21-37-35)39-32-12-4-2-10-29(32)30-20-19-28(24-34(30)39)41-36-14-6-8-22-38-36/h1-24H
InChIKeyHKDGDEOTRQMLKJ-UHFFFAOYSA-N
MW528.62 g/mol
LogP9.32
Rot. Bonds4

About 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine

11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine (PubChem CID 157331126) has the molecular formula C36H24N4O and a molecular weight of 528.62 g/mol. Its IUPAC name is 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine.

Molecular Properties

Compound Name11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
PubChem CID157331126
Molecular FormulaC36H24N4O
Molecular Weight528.62 g/mol
Exact Mass528.20
IUPAC Name11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine
SMILESC1=Cc2ccc(-n3c4ccccc4c4ccc(Oc5ccccn5)cc43)cc2N(c2ccccn2)c2ccccc21
InChIInChI=1S/C36H24N4O/c1-3-11-31-25(9-1)15-16-26-17-18-27(23-33(26)40(31)35-13-5-7-21-37-35)39-32-12-4-2-10-29(32)30-20-19-28(24-34(30)39)41-36-14-6-8-22-38-36/h1-24H
InChIKeyHKDGDEOTRQMLKJ-UHFFFAOYSA-N
XLogP9.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 59.32
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

2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
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
11-[11-(3-pyridin-2-yloxyphenyl)benzo[b][1]benzazepin-2-yl]pyrido[2,3-b][1]benzazepine
CID 158280195
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 140683745
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
CID 140683290
2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 157153903
9-(3,4-dideuterio-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421326
9-(4-propan-2-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421041
5-carbazol-9-yl-2-(9-pyridin-2-ylcarbazol-2-yl)oxyquinolin-8-ol
CID 176606537
9-(4-piperidin-1-yl-2-pyridinyl)-2-(3-pyridin-2-yloxyphenyl)carbazole
CID 153421765
2-phenyl-9-(9-pyridin-2-ylcarbazol-2-yl)carbazole
CID 71478701

Frequently Asked Questions

What is the IUPAC name of 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine?
The IUPAC name of 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine (CID 157331126) is 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine.
What is the SMILES notation for 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine?
The canonical SMILES for 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine is C1=Cc2ccc(-n3c4ccccc4c4ccc(Oc5ccccn5)cc43)cc2N(c2ccccn2)c2ccccc21.
What is the InChIKey of 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine?
The InChIKey is HKDGDEOTRQMLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4O/c1-3-11-31-25(9-1)15-16-26-17-18-27(23-33(26)40(31)35-13-5-7-21-37-35)39-32-12-4-2-10-29(32)30-20-19-28(24-34(30)39)41-36-14-6-8-22-38-36/h1-24H.
What are the key properties of 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine?
11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine has a molecular weight of 528.62 g/mol, XLogP of 9.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-2-yl-2-(2-pyridin-2-yloxycarbazol-9-yl)benzo[b][1]benzazepine is sourced from PubChem (CID 157331126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).