10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine

C48H40FN — CID 118670995

About 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine

10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine (PubChem CID 118670995) has the molecular formula C48H40FN and a molecular weight of 649.85 g/mol. Its IUPAC name is 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine.

Molecular Properties

• Compound Name: 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
• PubChem CID: 118670995
• Molecular Formula: C48H40FN
• Molecular Weight: 649.85 g/mol
• Exact Mass: 649.31
• IUPAC Name: 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine
• SMILES: CC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1ccc4c(ccc5ccccc54)c1-3)c1ccc(F)cc1C2
• InChI: InChI=1S/C48H40FN/c1-46-27-11-12-28-47(46,2)50(44-26-20-36(49)29-33(44)31-46)37-21-23-41-43(30-37)48(34-14-5-3-6-15-34,35-16-7-4-8-17-35)42-25-24-39-38-18-10-9-13-32(38)19-22-40(39)45(41)42/h3-10,13-26,29-30H,11-12,27-28,31H2,1-2H3
• InChIKey: WMVUXTRDGUUGFI-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.85
LogP ≤ 5	12.53
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 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?

The IUPAC name of 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine (CID 118670995) is 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine.

What is the SMILES notation for 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?

The canonical SMILES for 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine is CC12CCCCC1(C)N(c1ccc3c(c1)C(c1ccccc1)(c1ccccc1)c1ccc4c(ccc5ccccc54)c1-3)c1ccc(F)cc1C2.

What is the InChIKey of 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?

The InChIKey is WMVUXTRDGUUGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H40FN/c1-46-27-11-12-28-47(46,2)50(44-26-20-36(49)29-33(44)31-46)37-21-23-41-43(30-37)48(34-14-5-3-6-15-34,35-16-7-4-8-17-35)42-25-24-39-38-18-10-9-13-32(38)19-22-40(39)45(41)42/h3-10,13-26,29-30H,11-12,27-28,31H2,1-2H3.

What are the key properties of 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine?

10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine has a molecular weight of 649.85 g/mol, XLogP of 12.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(9,9-diphenyl-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)-7-fluoro-4a,9a-dimethyl-2,3,4,9-tetrahydro-1H-acridine is sourced from PubChem (CID 118670995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).