spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]

C33H27N — CID 167166607

About spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]

spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane] (PubChem CID 167166607) has the molecular formula C33H27N and a molecular weight of 437.59 g/mol. Its IUPAC name is spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane].

Molecular Properties

• Compound Name: spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
• PubChem CID: 167166607
• Molecular Formula: C33H27N
• Molecular Weight: 437.59 g/mol
• Exact Mass: 437.21
• IUPAC Name: spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]
• SMILES: c1ccc2c(c1)-c1c(ccc3[nH]c4c5ccccc5ccc4c13)C21C2CC3CC4CC1C2(C3)C4
• InChI: InChI=1S/C33H27N/c1-2-6-21-20(5-1)9-10-23-30-26(34-31(21)23)12-11-25-29(30)22-7-3-4-8-24(22)33(25)27-14-18-13-19-15-28(33)32(27,16-18)17-19/h1-12,18-19,27-28,34H,13-17H2
• InChIKey: QFNJNUDQNWPWCN-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 15.79 Ų
• H-Bond Donors: 1
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.59
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?

The IUPAC name of spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane] (CID 167166607) is spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane].

What is the SMILES notation for spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?

The canonical SMILES for spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane] is c1ccc2c(c1)-c1c(ccc3[nH]c4c5ccccc5ccc4c13)C21C2CC3CC4CC1C2(C3)C4.

What is the InChIKey of spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?

The InChIKey is QFNJNUDQNWPWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N/c1-2-6-21-20(5-1)9-10-23-30-26(34-31(21)23)12-11-25-29(30)22-7-3-4-8-24(22)33(25)27-14-18-13-19-15-28(33)32(27,16-18)17-19/h1-12,18-19,27-28,34H,13-17H2.

What are the key properties of spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane]?

spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane] has a molecular weight of 437.59 g/mol, XLogP of 8.20, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for spiro[14-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene-9,4'-tetracyclo[5.3.1.03,9.05,9]undecane] is sourced from PubChem (CID 167166607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).