1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole

C32H24F3N — CID 118671690

About 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole

1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole (PubChem CID 118671690) has the molecular formula C32H24F3N and a molecular weight of 479.55 g/mol. Its IUPAC name is 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole.

Molecular Properties

• Compound Name: 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole
• PubChem CID: 118671690
• Molecular Formula: C32H24F3N
• Molecular Weight: 479.55 g/mol
• Exact Mass: 479.19
• IUPAC Name: 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole
• SMILES: CC1(C)c2cc(N3c4ccccc4CC3C(F)(F)F)ccc2-c2c1ccc1c2ccc2ccccc21
• InChI: InChI=1S/C32H24F3N/c1-31(2)26-16-15-23-22-9-5-3-7-19(22)11-13-24(23)30(26)25-14-12-21(18-27(25)31)36-28-10-6-4-8-20(28)17-29(36)32(33,34)35/h3-16,18,29H,17H2,1-2H3
• InChIKey: SSUXXFWXOSMBHW-UHFFFAOYSA-N
• XLogP: 8.92
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.55
LogP ≤ 5	8.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole?

The IUPAC name of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole (CID 118671690) is 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole.

What is the SMILES notation for 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole?

The canonical SMILES for 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole is CC1(C)c2cc(N3c4ccccc4CC3C(F)(F)F)ccc2-c2c1ccc1c2ccc2ccccc21.

What is the InChIKey of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole?

The InChIKey is SSUXXFWXOSMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N/c1-31(2)26-16-15-23-22-9-5-3-7-19(22)11-13-24(23)30(26)25-14-12-21(18-27(25)31)36-28-10-6-4-8-20(28)17-29(36)32(33,34)35/h3-16,18,29H,17H2,1-2H3.

What are the key properties of 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole?

1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole has a molecular weight of 479.55 g/mol, XLogP of 8.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(9,9-dimethyl-6-pentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaenyl)-2-(trifluoromethyl)-2,3-dihydroindole is sourced from PubChem (CID 118671690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).