2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine

C39H26N4 — CID 157153903

IUPAC2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
SMILESC1=Cc2ccc(C3=Nc4ccccc4C3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C39H26N4/c1-4-12-33-28(10-1)23-34(41-33)29-19-18-27-17-16-26-9-2-5-13-35(26)42(37(27)24-29)30-20-21-32-31-11-3-6-14-36(31)43(38(32)25-30)39-15-7-8-22-40-39/h1-22,24-25H,23H2
InChIKeyUBXWGEGIMMJCDV-UHFFFAOYSA-N
MW550.67 g/mol
LogP9.81
Rot. Bonds3

About 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine

2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine (PubChem CID 157153903) has the molecular formula C39H26N4 and a molecular weight of 550.67 g/mol. Its IUPAC name is 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine.

Molecular Properties

Compound Name2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
PubChem CID157153903
Molecular FormulaC39H26N4
Molecular Weight550.67 g/mol
Exact Mass550.22
IUPAC Name2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
SMILESC1=Cc2ccc(C3=Nc4ccccc4C3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21
InChIInChI=1S/C39H26N4/c1-4-12-33-28(10-1)23-34(41-33)29-19-18-27-17-16-26-9-2-5-13-35(26)42(37(27)24-29)30-20-21-32-31-11-3-6-14-36(31)43(38(32)25-30)39-15-7-8-22-40-39/h1-22,24-25H,23H2
InChIKeyUBXWGEGIMMJCDV-UHFFFAOYSA-N
XLogP9.81
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.67
LogP ≤ 59.81
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
11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
CID 140683290
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 140683745
3-(3H-indol-2-yl)-5,11-diphenylindolo[3,2-b]carbazole
CID 159892613
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
3-(3H-indol-2-yl)-5,7-diphenylindolo[2,3-b]carbazole
CID 161289736
11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 140683788
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
2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
CID 140679502
3,7-diphenyl-5-pyridin-2-ylindolo[2,3-b]carbazole
CID 149342051
9,9-dipropyl-3-pyridin-2-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 160772927

Frequently Asked Questions

What is the IUPAC name of 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
The IUPAC name of 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine (CID 157153903) is 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine.
What is the SMILES notation for 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
The canonical SMILES for 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine is C1=Cc2ccc(C3=Nc4ccccc4C3)cc2N(c2ccc3c4ccccc4n(-c4ccccn4)c3c2)c2ccccc21.
What is the InChIKey of 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
The InChIKey is UBXWGEGIMMJCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N4/c1-4-12-33-28(10-1)23-34(41-33)29-19-18-27-17-16-26-9-2-5-13-35(26)42(37(27)24-29)30-20-21-32-31-11-3-6-14-36(31)43(38(32)25-30)39-15-7-8-22-40-39/h1-22,24-25H,23H2.
What are the key properties of 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine?
2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine has a molecular weight of 550.67 g/mol, XLogP of 9.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine is sourced from PubChem (CID 157153903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).