12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene

C41H28O — CID 171045417

About 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene

12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene (PubChem CID 171045417) has the molecular formula C41H28O and a molecular weight of 536.67 g/mol. Its IUPAC name is 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene.

Molecular Properties

• Compound Name: 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
• PubChem CID: 171045417
• Molecular Formula: C41H28O
• Molecular Weight: 536.67 g/mol
• Exact Mass: 536.21
• IUPAC Name: 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene
• SMILES: CC1(C)c2ccccc2-c2c1cc(-c1ccc3c4c(cccc14)-c1cc(-c4ccccc4)ccc1O3)c1ccccc21
• InChI: InChI=1S/C41H28O/c1-41(2)35-18-9-8-15-32(35)39-29-14-7-6-13-27(29)33(24-36(39)41)28-20-22-38-40-30(28)16-10-17-31(40)34-23-26(19-21-37(34)42-38)25-11-4-3-5-12-25/h3-24H,1-2H3
• InChIKey: KFKUGRKJHSGQBM-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.67
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?

The IUPAC name of 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene (CID 171045417) is 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene.

What is the SMILES notation for 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?

The canonical SMILES for 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene is CC1(C)c2ccccc2-c2c1cc(-c1ccc3c4c(cccc14)-c1cc(-c4ccccc4)ccc1O3)c1ccccc21.

What is the InChIKey of 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?

The InChIKey is KFKUGRKJHSGQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28O/c1-41(2)35-18-9-8-15-32(35)39-29-14-7-6-13-27(29)33(24-36(39)41)28-20-22-38-40-30(28)16-10-17-31(40)34-23-26(19-21-37(34)42-38)25-11-4-3-5-12-25/h3-24H,1-2H3.

What are the key properties of 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene?

12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene has a molecular weight of 536.67 g/mol, XLogP of 11.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene is sourced from PubChem (CID 171045417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).