14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]

C56H41N3 — CID 164819479

About 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]

14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane] (PubChem CID 164819479) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane].

Molecular Properties

• Compound Name: 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]
• PubChem CID: 164819479
• Molecular Formula: C56H41N3
• Molecular Weight: 755.97 g/mol
• Exact Mass: 755.33
• IUPAC Name: 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]
• SMILES: c1ccc(-c2nc3ccccc3nc2-c2ccc3cc(-n4c5ccc6c(c5c5ccc7ccccc7c54)C4(c5ccccc5-6)C5CC6CC(C5)CC4C6)ccc3c2)cc1
• InChI: InChI=1S/C56H41N3/c1-2-11-36(12-3-1)53-54(58-49-17-9-8-16-48(49)57-53)39-19-18-38-32-42(22-20-37(38)31-39)59-50-25-24-45-44-14-6-7-15-47(44)56(40-27-33-26-34(29-40)30-41(56)28-33)52(45)51(50)46-23-21-35-10-4-5-13-43(35)55(46)59/h1-25,31-34,40-41H,26-30H2
• InChIKey: CKWVJHMGTKHMKM-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	755.97
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]?

The IUPAC name of 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane] (CID 164819479) is 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane].

What is the SMILES notation for 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]?

The canonical SMILES for 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane] is c1ccc(-c2nc3ccccc3nc2-c2ccc3cc(-n4c5ccc6c(c5c5ccc7ccccc7c54)C4(c5ccccc5-6)C5CC6CC(C5)CC4C6)ccc3c2)cc1.

What is the InChIKey of 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]?

The InChIKey is CKWVJHMGTKHMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c1-2-11-36(12-3-1)53-54(58-49-17-9-8-16-48(49)57-53)39-19-18-38-32-42(22-20-37(38)31-39)59-50-25-24-45-44-14-6-7-15-47(44)56(40-27-33-26-34(29-40)30-41(56)28-33)52(45)51(50)46-23-21-35-10-4-5-13-43(35)55(46)59/h1-25,31-34,40-41H,26-30H2.

What are the key properties of 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane]?

14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane] has a molecular weight of 755.97 g/mol, XLogP of 14.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[6-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]spiro[14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene-3,2'-adamantane] is sourced from PubChem (CID 164819479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).