4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

C37H24N2 — CID 59319046

About 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene

4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (PubChem CID 59319046) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

Molecular Properties

• Compound Name: 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
• PubChem CID: 59319046
• Molecular Formula: C37H24N2
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.19
• IUPAC Name: 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene
• SMILES: CC1(C)c2ccccc2-c2nc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)ccc21
• InChI: InChI=1S/C37H24N2/c1-37(2)31-15-6-5-11-26(31)36-32(37)16-17-33(39-36)29-19-28-24-13-7-12-23-25-14-8-18-38-35(25)30(34(23)24)20-27(28)21-9-3-4-10-22(21)29/h3-20H,1-2H3
• InChIKey: ZPWJIVPQVDYKGU-UHFFFAOYSA-N
• XLogP: 9.56
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

The IUPAC name of 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene (CID 59319046) is 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene.

What is the SMILES notation for 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

The canonical SMILES for 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is CC1(C)c2ccccc2-c2nc(-c3cc4c5cccc6c5c(cc4c4ccccc34)-c3ncccc3-6)ccc21.

What is the InChIKey of 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

The InChIKey is ZPWJIVPQVDYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-37(2)31-15-6-5-11-26(31)36-32(37)16-17-33(39-36)29-19-28-24-13-7-12-23-25-14-8-18-38-35(25)30(34(23)24)20-27(28)21-9-3-4-10-22(21)29/h3-20H,1-2H3.

What are the key properties of 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene?

4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene has a molecular weight of 496.61 g/mol, XLogP of 9.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5,5-dimethylindeno[1,2-b]pyridin-2-yl)-15-azahexacyclo[11.10.1.02,11.05,10.014,19.020,24]tetracosa-1,3,5,7,9,11,13(24),14(19),15,17,20,22-dodecaene is sourced from PubChem (CID 59319046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).