23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene

C62H40N2 — CID 121340582

About 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene

23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene (PubChem CID 121340582) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene.

Molecular Properties

• Compound Name: 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
• PubChem CID: 121340582
• Molecular Formula: C62H40N2
• Molecular Weight: 813.02 g/mol
• Exact Mass: 812.32
• IUPAC Name: 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene
• SMILES: Cc1ccc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)c2cc(-c3ccccc3)ccc2n4-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc1
• InChI: InChI=1S/C62H40N2/c1-39-19-21-43(22-20-39)46-27-29-53-54(33-46)51-17-9-10-18-52(51)56-38-62-58(37-55(53)56)57-34-47(40-11-3-2-4-12-40)28-30-61(57)64(62)50-35-59(48-25-23-41-13-5-7-15-44(41)31-48)63-60(36-50)49-26-24-42-14-6-8-16-45(42)32-49/h2-38H,1H3
• InChIKey: BUQNRHLNUGJASO-UHFFFAOYSA-N
• XLogP: 16.92
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.02
LogP ≤ 5	16.92
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 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

The IUPAC name of 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene (CID 121340582) is 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene.

What is the SMILES notation for 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

The canonical SMILES for 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene is Cc1ccc(-c2ccc3c(c2)c2ccccc2c2cc4c(cc32)c2cc(-c3ccccc3)ccc2n4-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc1.

What is the InChIKey of 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

The InChIKey is BUQNRHLNUGJASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-39-19-21-43(22-20-39)46-27-29-53-54(33-46)51-17-9-10-18-52(51)56-38-62-58(37-55(53)56)57-34-47(40-11-3-2-4-12-40)28-30-61(57)64(62)50-35-59(48-25-23-41-13-5-7-15-44(41)31-48)63-60(36-50)49-26-24-42-14-6-8-16-45(42)32-49/h2-38H,1H3.

What are the key properties of 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene?

23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene has a molecular weight of 813.02 g/mol, XLogP of 16.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 23-(2,6-dinaphthalen-2-yl-4-pyridinyl)-10-(4-methylphenyl)-19-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8(13),9,11,14,16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 121340582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).