9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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 135162788

About 9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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 135162788) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is 9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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: 135162788
• Molecular Formula: C51H34N2
• Molecular Weight: 674.85 g/mol
• Exact Mass: 674.27
• IUPAC Name: 9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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=C(c2ccccc2)C=C(c2ccc3ccccc3c2)NC1c1cccc(-n2c3ccccc3c3c4c5ccccc5ccc4c4ccccc4c32)c1
• InChI: InChI=1S/C51H34N2/c1-2-13-33(14-3-1)39-31-46(52-47(32-39)38-26-25-34-15-4-5-17-36(34)29-38)37-18-12-19-40(30-37)53-48-24-11-10-23-45(48)50-49-41-20-7-6-16-35(41)27-28-43(49)42-21-8-9-22-44(42)51(50)53/h1-32,46,52H
• InChIKey: PLYPSGDJEKXHIW-UHFFFAOYSA-N
• XLogP: 13.17
• TPSA: 16.96 Ų
• H-Bond Donors: 1
• 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	13.17
H-Bond Donors ≤ 5	1
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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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 135162788) is 9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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=C(c2ccccc2)C=C(c2ccc3ccccc3c2)NC1c1cccc(-n2c3ccccc3c3c4c5ccccc5ccc4c4ccccc4c32)c1.

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

What are the key properties of 9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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 13.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(6-naphthalen-2-yl-4-phenyl-1,2-dihydropyridin-2-yl)phenyl]-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 135162788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).