12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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

C51H34O — CID 171044768

About 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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 171044768) has the molecular formula C51H34O and a molecular weight of 662.83 g/mol. Its IUPAC name is 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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: 171044768
• Molecular Formula: C51H34O
• Molecular Weight: 662.83 g/mol
• Exact Mass: 662.26
• IUPAC Name: 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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(-c1cccc3cc(-c4ccc5c6c(cccc46)-c4cc(-c6ccccc6)ccc4O5)ccc13)c1ccccc21
• InChI: InChI=1S/C51H34O/c1-51(2)45-21-9-8-17-42(45)49-40-16-7-6-15-38(40)43(30-46(49)51)37-18-10-14-33-28-34(22-24-35(33)37)36-25-27-48-50-39(36)19-11-20-41(50)44-29-32(23-26-47(44)52-48)31-12-4-3-5-13-31/h3-30H,1-2H3
• InChIKey: ZPFMYELKEUXBRA-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.83
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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 171044768) is 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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(-c1cccc3cc(-c4ccc5c6c(cccc46)-c4cc(-c6ccccc6)ccc4O5)ccc13)c1ccccc21.

What is the InChIKey of 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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 ZPFMYELKEUXBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34O/c1-51(2)45-21-9-8-17-42(45)49-40-16-7-6-15-38(40)43(30-46(49)51)37-18-10-14-33-28-34(22-24-35(33)37)36-25-27-48-50-39(36)19-11-20-41(50)44-29-32(23-26-47(44)52-48)31-12-4-3-5-13-31/h3-30H,1-2H3.

What are the key properties of 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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 662.83 g/mol, XLogP of 14.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[5-(7,7-dimethylbenzo[c]fluoren-5-yl)naphthalen-2-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 171044768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).