17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene

C34H34NO+ — CID 168732483

About 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene

17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene (PubChem CID 168732483) has the molecular formula C34H34NO+ and a molecular weight of 472.65 g/mol. Its IUPAC name is 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene.

Molecular Properties

• Compound Name: 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
• PubChem CID: 168732483
• Molecular Formula: C34H34NO+
• Molecular Weight: 472.65 g/mol
• Exact Mass: 472.26
• IUPAC Name: 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene
• SMILES: Cc1ccc2c(C(C)C)c3c(c(C)c2c1)-c1c2c(cc4cc(C5CCCC5)ccc4c2cc[n+]1C)O3
• InChI: InChI=1S/C34H34NO/c1-19(2)30-26-12-10-20(3)16-28(26)21(4)31-33-32-27(14-15-35(33)5)25-13-11-23(22-8-6-7-9-22)17-24(25)18-29(32)36-34(30)31/h10-19,22H,6-9H2,1-5H3/q+1
• InChIKey: LLJIWJCCKHWORW-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 13.11 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.65
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?

The IUPAC name of 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene (CID 168732483) is 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene.

What is the SMILES notation for 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?

The canonical SMILES for 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene is Cc1ccc2c(C(C)C)c3c(c(C)c2c1)-c1c2c(cc4cc(C5CCCC5)ccc4c2cc[n+]1C)O3.

What is the InChIKey of 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?

The InChIKey is LLJIWJCCKHWORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34NO/c1-19(2)30-26-12-10-20(3)16-28(26)21(4)31-33-32-27(14-15-35(33)5)25-13-11-23(22-8-6-7-9-22)17-24(25)18-29(32)36-34(30)31/h10-19,22H,6-9H2,1-5H3/q+1.

What are the key properties of 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene?

17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene has a molecular weight of 472.65 g/mol, XLogP of 9.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 17-cyclopentyl-3,6,24-trimethyl-10-propan-2-yl-12-oxa-24-azoniahexacyclo[11.11.1.02,11.04,9.015,20.021,25]pentacosa-1(24),2(11),3,5,7,9,13(25),14,16,18,20,22-dodecaene is sourced from PubChem (CID 168732483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).