9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C25H16N2 — CID 89017135

IUPAC9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc5ccccc54)ccc32)nc1
InChIInChI=1S/C25H16N2/c1-2-8-19-17(7-1)12-13-18-14-15-22-25(24(18)19)20-9-3-4-10-21(20)27(22)23-11-5-6-16-26-23/h1-16H
InChIKeyARPOAPRTNXLMMF-UHFFFAOYSA-N
MW344.42 g/mol
LogP6.49
Rot. Bonds1

About 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 89017135) has the molecular formula C25H16N2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

Compound Name9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
PubChem CID89017135
Molecular FormulaC25H16N2
Molecular Weight344.42 g/mol
Exact Mass344.13
IUPAC Name9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc5ccccc54)ccc32)nc1
InChIInChI=1S/C25H16N2/c1-2-8-19-17(7-1)12-13-18-14-15-22-25(24(18)19)20-9-3-4-10-21(20)27(22)23-11-5-6-16-26-23/h1-16H
InChIKeyARPOAPRTNXLMMF-UHFFFAOYSA-N
XLogP6.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene with MolForge

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Related Compounds

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CID 58038408
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-pyridin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166563611
10-isoquinolin-1-yl-7-pyridin-2-ylbenzo[c]carbazole
CID 90249840
9,14-bis(6-carbazol-9-yl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038361
6-phenyl-30-pyridin-2-yl-6,30-diazaoctacyclo[19.7.1.13,28.02,14.05,13.07,12.015,20.025,29]triaconta-1(28),2,4,7,9,11,13,15,17,19,21,23,25(29),26-tetradecaene
CID 155009852
9-pyridin-2-ylcarbazol-3-amine
CID 135208084
7-(5-pyridin-3-yl-2-pyridinyl)benzo[c]carbazole
CID 90250027
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
CID 70836995
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-pyridin-2-ylcarbazole
CID 166905670
9-[3-(2-methylphenyl)phenyl]-7-pyridin-2-ylbenzo[c]carbazole
CID 90175626
10-(5-isoquinolin-1-yl-2-pyridinyl)-7-pyridin-2-ylbenzo[c]carbazole
CID 90249844

Frequently Asked Questions

What is the IUPAC name of 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
The IUPAC name of 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 89017135) is 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.
What is the SMILES notation for 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
The canonical SMILES for 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3c4c(ccc5ccccc54)ccc32)nc1.
What is the InChIKey of 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
The InChIKey is ARPOAPRTNXLMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2/c1-2-8-19-17(7-1)12-13-18-14-15-22-25(24(18)19)20-9-3-4-10-21(20)27(22)23-11-5-6-16-26-23/h1-16H.
What are the key properties of 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 344.42 g/mol, XLogP of 6.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 89017135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).