11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene

C24H15N3 — CID 166806392

IUPAC11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
SMILESc1cncc(-c2cc3c4c(nc5ccccc53)Cc3ccccc3-c4n2)c1
InChIInChI=1S/C24H15N3/c1-2-8-17-15(6-1)12-22-23-19(18-9-3-4-10-20(18)26-22)13-21(27-24(17)23)16-7-5-11-25-14-16/h1-11,13-14H,12H2
InChIKeyYFPBADLCTXXWEK-UHFFFAOYSA-N
MW345.41 g/mol
LogP5.42
Rot. Bonds1

About 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene

11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene (PubChem CID 166806392) has the molecular formula C24H15N3 and a molecular weight of 345.41 g/mol. Its IUPAC name is 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene.

Molecular Properties

Compound Name11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
PubChem CID166806392
Molecular FormulaC24H15N3
Molecular Weight345.41 g/mol
Exact Mass345.13
IUPAC Name11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
SMILESc1cncc(-c2cc3c4c(nc5ccccc53)Cc3ccccc3-c4n2)c1
InChIInChI=1S/C24H15N3/c1-2-8-17-15(6-1)12-22-23-19(18-9-3-4-10-20(18)26-22)13-21(27-24(17)23)16-7-5-11-25-14-16/h1-11,13-14H,12H2
InChIKeyYFPBADLCTXXWEK-UHFFFAOYSA-N
XLogP5.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene with MolForge

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Related Compounds

2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaene
CID 158524296
2-phenyl-4-pyridin-3-ylquinoline
CID 175326570
1-phenyl-3-pyridin-3-ylbenzo[f]quinoline
CID 2248804
2-phenyl-9-[4-(6-pyridin-3-ylphenanthridin-10-yl)phenyl]-1,10-phenanthroline
CID 146548238
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-10-pyridin-3-ylphenanthridine
CID 146549250
4-[4-(9H-fluoren-4-yl)phenyl]-2-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine
CID 163836972
2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
CID 158524295
N-(2,3-dihydroinden-1-ylideneamino)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3277531
2-phenyl-9-(10-phenyl-6-pyridin-3-ylphenanthridin-2-yl)-1,10-phenanthroline
CID 146550015
6-(3-pyridin-3-ylphenyl)benzo[k]phenanthridine
CID 118332103
2,4-diphenyl-6-pyridin-3-ylpyridine
CID 3477432
2-phenyl-4-pyridin-3-yl-5H-chromeno[4,3-b]pyridine
CID 53375672

Frequently Asked Questions

What is the IUPAC name of 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
The IUPAC name of 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene (CID 166806392) is 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene.
What is the SMILES notation for 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
The canonical SMILES for 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene is c1cncc(-c2cc3c4c(nc5ccccc53)Cc3ccccc3-c4n2)c1.
What is the InChIKey of 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
The InChIKey is YFPBADLCTXXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3/c1-2-8-17-15(6-1)12-22-23-19(18-9-3-4-10-20(18)26-22)13-21(27-24(17)23)16-7-5-11-25-14-16/h1-11,13-14H,12H2.
What are the key properties of 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene?
11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene has a molecular weight of 345.41 g/mol, XLogP of 5.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene is sourced from PubChem (CID 166806392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).