15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

C27H27NP+ — CID 164722047

About 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene

15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (PubChem CID 164722047) has the molecular formula C27H27NP+ and a molecular weight of 396.49 g/mol. Its IUPAC name is 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

Molecular Properties

• Compound Name: 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
• PubChem CID: 164722047
• Molecular Formula: C27H27NP+
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.19
• IUPAC Name: 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene
• SMILES: Cc1c2c(cc3ccccc13)P(C)c1cc(C3CCCC3)cc3cc[n+](C)c-2c13
• InChI: InChI=1S/C27H27NP/c1-17-22-11-7-6-10-19(22)15-23-25(17)27-26-20(12-13-28(27)2)14-21(16-24(26)29(23)3)18-8-4-5-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3/q+1
• InChIKey: MEMKBYBZJTYEFQ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 3.88 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

The IUPAC name of 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene (CID 164722047) is 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene.

What is the SMILES notation for 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

The canonical SMILES for 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is Cc1c2c(cc3ccccc13)P(C)c1cc(C3CCCC3)cc3cc[n+](C)c-2c13.

What is the InChIKey of 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

The InChIKey is MEMKBYBZJTYEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NP/c1-17-22-11-7-6-10-19(22)15-23-25(17)27-26-20(12-13-28(27)2)14-21(16-24(26)29(23)3)18-8-4-5-9-18/h6-7,10-16,18H,4-5,8-9H2,1-3H3/q+1.

What are the key properties of 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene?

15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene has a molecular weight of 396.49 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 15-cyclopentyl-3,12,20-trimethyl-20-azonia-12-phosphapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaene is sourced from PubChem (CID 164722047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).