24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene

C41H26N2 — CID 121432196

About 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene

24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene (PubChem CID 121432196) has the molecular formula C41H26N2 and a molecular weight of 546.67 g/mol. Its IUPAC name is 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene.

Molecular Properties

• Compound Name: 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
• PubChem CID: 121432196
• Molecular Formula: C41H26N2
• Molecular Weight: 546.67 g/mol
• Exact Mass: 546.21
• IUPAC Name: 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5ccc6c7ccccc7ccc6c5c43)c2)cc1
• InChI: InChI=1S/C41H26N2/c1-3-11-27(12-4-1)31-25-37(29-14-5-2-6-15-29)42-39(26-31)43-38-18-10-9-17-34(38)36-24-21-30-20-22-33-32-16-8-7-13-28(32)19-23-35(33)40(30)41(36)43/h1-26H
• InChIKey: CAZYYAUHPFZPOL-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.67
LogP ≤ 5	10.97
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 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene?

The IUPAC name of 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene (CID 121432196) is 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene.

What is the SMILES notation for 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene?

The canonical SMILES for 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5ccc6c7ccccc7ccc6c5c43)c2)cc1.

What is the InChIKey of 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene?

The InChIKey is CAZYYAUHPFZPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N2/c1-3-11-27(12-4-1)31-25-37(29-14-5-2-6-15-29)42-39(26-31)43-38-18-10-9-17-34(38)36-24-21-30-20-22-33-32-16-8-7-13-28(32)19-23-35(33)40(30)41(36)43/h1-26H.

What are the key properties of 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene?

24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene has a molecular weight of 546.67 g/mol, XLogP of 10.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 24-(4,6-diphenyl-2-pyridinyl)-24-azahexacyclo[12.11.0.02,11.05,10.017,25.018,23]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),18,20,22-dodecaene is sourced from PubChem (CID 121432196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).