9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C60H37N3 — CID 129149879

About 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 129149879) has the molecular formula C60H37N3 and a molecular weight of 799.98 g/mol. Its IUPAC name is 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 129149879
• Molecular Formula: C60H37N3
• Molecular Weight: 799.98 g/mol
• Exact Mass: 799.30
• IUPAC Name: 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8ccccc78)cc65)ccc34)c2)cc1
• InChI: InChI=1S/C60H37N3/c1-2-15-38(16-3-1)41-20-12-22-43(35-41)59-60(62-54-30-11-10-29-53(54)61-59)51-28-14-21-42-36-44(32-33-46(42)51)63-55-34-31-40-18-5-7-24-47(40)57(55)58-50-26-9-8-25-49(50)52(37-56(58)63)48-27-13-19-39-17-4-6-23-45(39)48/h1-37H
• InChIKey: FEUHQVQRRXLWND-UHFFFAOYSA-N
• XLogP: 16.01
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.98
LogP ≤ 5	16.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 129149879) is 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2cccc(-c3nc4ccccc4nc3-c3cccc4cc(-n5c6ccc7ccccc7c6c6c7ccccc7c(-c7cccc8ccccc78)cc65)ccc34)c2)cc1.

What is the InChIKey of 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is FEUHQVQRRXLWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3/c1-2-15-38(16-3-1)41-20-12-22-43(35-41)59-60(62-54-30-11-10-29-53(54)61-59)51-28-14-21-42-36-44(32-33-46(42)51)63-55-34-31-40-18-5-7-24-47(40)57(55)58-50-26-9-8-25-49(50)52(37-56(58)63)48-27-13-19-39-17-4-6-23-45(39)48/h1-37H.

What are the key properties of 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 799.98 g/mol, XLogP of 16.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-1-yl-12-[5-[3-(3-phenylphenyl)quinoxalin-2-yl]naphthalen-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 129149879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).