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

C36H24N4 — CID 90089781

IUPAC2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
SMILESC1=Cc2ccc(-c3ccccn3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C36H24N4/c1-3-12-32-25(9-1)15-16-26-17-18-27(31-11-5-7-21-37-31)23-34(26)39(32)28-19-20-30-29-10-2-4-13-33(29)40(35(30)24-28)36-14-6-8-22-38-36/h1-24H
InChIKeyGSWAWJOLJTZWRV-UHFFFAOYSA-N
MW512.62 g/mol
LogP9.19
Rot. Bonds3

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

2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine (PubChem CID 90089781) has the molecular formula C36H24N4 and a molecular weight of 512.62 g/mol. Its IUPAC name is 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine.

Molecular Properties

Compound Name2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
PubChem CID90089781
Molecular FormulaC36H24N4
Molecular Weight512.62 g/mol
Exact Mass512.20
IUPAC Name2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
SMILESC1=Cc2ccc(-c3ccccn3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C36H24N4/c1-3-12-32-25(9-1)15-16-26-17-18-27(31-11-5-7-21-37-31)23-34(26)39(32)28-19-20-30-29-10-2-4-13-33(29)40(35(30)24-28)36-14-6-8-22-38-36/h1-24H
InChIKeyGSWAWJOLJTZWRV-UHFFFAOYSA-N
XLogP9.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 59.19
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

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
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 140683745
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
9,9-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
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-pyridin-2-yl-2-(2-pyridin-2-ylcarbazol-9-yl)pyrido[2,3-b]indole
CID 155655282
20-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-17-pyridin-2-yl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 163456260
15,21-diphenyl-5,25-dipyridin-2-yl-5,15,21-triaza-1-boraheptacyclo[14.11.1.02,14.04,12.06,11.020,28.022,27]octacosa-2,4(12),6,8,10,13,16,18,20(28),22(27),23,25-dodecaene
CID 156629784
platinum(2+);9-pyridin-2-yl-2-(2-quinolin-2-ylcarbazol-9-yl)carbazole
CID 71478704

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
The IUPAC name of 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine (CID 90089781) is 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine.
What is the SMILES notation for 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
The canonical SMILES for 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine is C1=Cc2ccc(-c3ccccn3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21.
What is the InChIKey of 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
The InChIKey is GSWAWJOLJTZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N4/c1-3-12-32-25(9-1)15-16-26-17-18-27(31-11-5-7-21-37-31)23-34(26)39(32)28-19-20-30-29-10-2-4-13-33(29)40(35(30)24-28)36-14-6-8-22-38-36/h1-24H.
What are the key properties of 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine has a molecular weight of 512.62 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine is sourced from PubChem (CID 90089781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).