11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine

C33H24N6 — CID 140683788

IUPAC11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5CCc5ccc(-n6nccn6)cc54)cc32)nc1
InChIInChI=1S/C33H24N6/c1-3-9-29-23(7-1)12-13-24-14-15-26(39-35-19-20-36-39)22-31(24)37(29)25-16-17-28-27-8-2-4-10-30(27)38(32(28)21-25)33-11-5-6-18-34-33/h1-11,14-22H,12-13H2
InChIKeyJZZXYMRDPJPHER-UHFFFAOYSA-N
MW504.60 g/mol
LogP7.33
Rot. Bonds3

About 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine

11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine (PubChem CID 140683788) has the molecular formula C33H24N6 and a molecular weight of 504.60 g/mol. Its IUPAC name is 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
PubChem CID140683788
Molecular FormulaC33H24N6
Molecular Weight504.60 g/mol
Exact Mass504.21
IUPAC Name11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
SMILESc1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5CCc5ccc(-n6nccn6)cc54)cc32)nc1
InChIInChI=1S/C33H24N6/c1-3-9-29-23(7-1)12-13-24-14-15-26(39-35-19-20-36-39)22-31(24)37(29)25-16-17-28-27-8-2-4-10-30(27)38(32(28)21-25)33-11-5-6-18-34-33/h1-11,14-22H,12-13H2
InChIKeyJZZXYMRDPJPHER-UHFFFAOYSA-N
XLogP7.33
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.60
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine with MolForge

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Related Compounds

9,9-dimethyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 118539189
11-pyridin-2-yl-5,6-dihydrobenzo[b][1]benzazepine
CID 132545002
2-(3H-indol-2-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 157153903
2-pyridin-2-yl-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 90089781
2-[3-(9-pyridin-2-ylcarbazol-2-yl)-2H-imidazo[4,5-b]pyridin-1-yl]phenol
CID 140679502
2-(benzotriazol-1-yl)-11-(9-pyridin-2-ylcarbazol-2-yl)benzo[b][1]benzazepine
CID 140683745
11-(2H-benzimidazol-2-yl)-14-(9-pyridin-2-ylcarbazol-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 176637646
9,9-dibutyl-3-pyrazol-1-yl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 157160442
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
11-(9-pyridin-2-ylcarbazol-2-yl)-2-quinolin-2-ylbenzo[b][1]benzazepine
CID 140683290
9-pyridin-2-yl-N-(9-pyridin-2-ylcarbazol-2-yl)carbazol-2-amine
CID 137412781

Frequently Asked Questions

What is the IUPAC name of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine?
The IUPAC name of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine (CID 140683788) is 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine.
What is the SMILES notation for 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine?
The canonical SMILES for 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine is c1ccc(-n2c3ccccc3c3ccc(N4c5ccccc5CCc5ccc(-n6nccn6)cc54)cc32)nc1.
What is the InChIKey of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine?
The InChIKey is JZZXYMRDPJPHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N6/c1-3-9-29-23(7-1)12-13-24-14-15-26(39-35-19-20-36-39)22-31(24)37(29)25-16-17-28-27-8-2-4-10-30(27)38(32(28)21-25)33-11-5-6-18-34-33/h1-11,14-22H,12-13H2.
What are the key properties of 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine?
11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine has a molecular weight of 504.60 g/mol, XLogP of 7.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(9-pyridin-2-ylcarbazol-2-yl)-2-(triazol-2-yl)-5,6-dihydrobenzo[b][1]benzazepine is sourced from PubChem (CID 140683788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).