9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

C51H34N2 — CID 145280626

About 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene

9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (PubChem CID 145280626) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

Molecular Properties

• Compound Name: 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• PubChem CID: 145280626
• Molecular Formula: C51H34N2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.27
• IUPAC Name: 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
• SMILES: C1=CC(n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)=CCC1
• InChI: InChI=1S/C51H34N2/c1-3-16-33(17-4-1)35-30-46(40-28-15-19-34-18-7-8-22-37(34)40)52-47(31-35)44-32-45-39-24-10-12-26-42(39)51-50(49(45)41-25-11-9-23-38(41)44)43-27-13-14-29-48(43)53(51)36-20-5-2-6-21-36/h1,3-5,7-32H,2,6H2
• InChIKey: KFUOMVTUZJTYBO-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.85
LogP ≤ 5	13.99
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 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The IUPAC name of 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene (CID 145280626) is 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene.

What is the SMILES notation for 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The canonical SMILES for 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is C1=CC(n2c3ccccc3c3c4c5ccccc5c(-c5cc(-c6ccccc6)cc(-c6cccc7ccccc67)n5)cc4c4ccccc4c32)=CCC1.

What is the InChIKey of 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

The InChIKey is KFUOMVTUZJTYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-3-16-33(17-4-1)35-30-46(40-28-15-19-34-18-7-8-22-37(34)40)52-47(31-35)44-32-45-39-24-10-12-26-42(39)51-50(49(45)41-25-11-9-23-38(41)44)43-27-13-14-29-48(43)53(51)36-20-5-2-6-21-36/h1,3-5,7-32H,2,6H2.

What are the key properties of 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene?

9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene has a molecular weight of 674.85 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-cyclohexa-1,5-dien-1-yl-19-(6-naphthalen-1-yl-4-phenyl-2-pyridinyl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene is sourced from PubChem (CID 145280626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).