12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C52H40 — CID 140710669

About 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 140710669) has the molecular formula C52H40 and a molecular weight of 664.89 g/mol. Its IUPAC name is 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 140710669
• Molecular Formula: C52H40
• Molecular Weight: 664.89 g/mol
• Exact Mass: 664.31
• IUPAC Name: 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: CC(C)c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C3(C)C)c1
• InChI: InChI=1S/C52H40/c1-32(2)41-28-42(40-22-21-38-26-37(19-20-39(38)27-40)36-18-17-33-11-5-6-13-35(33)25-36)30-43(29-41)48-31-49-50(46-16-10-9-15-45(46)48)47-24-23-34-12-7-8-14-44(34)51(47)52(49,3)4/h5-32H,1-4H3
• InChIKey: MFJWUYXECHNMIY-UHFFFAOYSA-N
• XLogP: 14.73
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	664.89
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 140710669) is 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC(C)c1cc(-c2ccc3cc(-c4ccc5ccccc5c4)ccc3c2)cc(-c2cc3c(c4ccccc24)-c2ccc4ccccc4c2C3(C)C)c1.

What is the InChIKey of 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is MFJWUYXECHNMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40/c1-32(2)41-28-42(40-22-21-38-26-37(19-20-39(38)27-40)36-18-17-33-11-5-6-13-35(33)25-36)30-43(29-41)48-31-49-50(46-16-10-9-15-45(46)48)47-24-23-34-12-7-8-14-44(34)51(47)52(49,3)4/h5-32H,1-4H3.

What are the key properties of 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 664.89 g/mol, XLogP of 14.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)-5-propan-2-ylphenyl]pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 140710669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).