12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C43H30 — CID 58151571

About 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 58151571) has the molecular formula C43H30 and a molecular weight of 546.71 g/mol. Its IUPAC name is 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 58151571
• Molecular Formula: C43H30
• Molecular Weight: 546.71 g/mol
• Exact Mass: 546.23
• IUPAC Name: 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: CC1(C)c2ccc3ccccc3c2-c2c1cc(-c1ccc(-c3cccc4ccccc34)c3ccccc13)c1ccccc21
• InChI: InChI=1S/C43H30/c1-43(2)39-25-22-28-13-4-6-16-30(28)41(39)42-37-20-10-9-19-34(37)38(26-40(42)43)36-24-23-35(32-17-7-8-18-33(32)36)31-21-11-14-27-12-3-5-15-29(27)31/h3-26H,1-2H3
• InChIKey: FOQFEEPSVIGQHP-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.71
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 58151571) is 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is CC1(C)c2ccc3ccccc3c2-c2c1cc(-c1ccc(-c3cccc4ccccc34)c3ccccc13)c1ccccc21.

What is the InChIKey of 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is FOQFEEPSVIGQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30/c1-43(2)39-25-22-28-13-4-6-16-30(28)41(39)42-37-20-10-9-19-34(37)38(26-40(42)43)36-24-23-35(32-17-7-8-18-33(32)36)31-21-11-14-27-12-3-5-15-29(27)31/h3-26H,1-2H3.

What are the key properties of 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 546.71 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-9-(4-naphthalen-1-ylnaphthalen-1-yl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 58151571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).