3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene

C51H40 — CID 59582849

About 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene

3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene (PubChem CID 59582849) has the molecular formula C51H40 and a molecular weight of 652.88 g/mol. Its IUPAC name is 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene.

Molecular Properties

• Compound Name: 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene
• PubChem CID: 59582849
• Molecular Formula: C51H40
• Molecular Weight: 652.88 g/mol
• Exact Mass: 652.31
• IUPAC Name: 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene
• SMILES: CC1(C)c2cc(-c3ccc4cc(C5=CC6C=CC(c7ccc8c9c(cccc79)C7C=CC=CC87)=CC6C=C5)ccc4c3)ccc2C2C=CC=CC21
• InChI: InChI=1S/C51H40/c1-51(2)48-13-6-5-10-43(48)44-23-22-38(30-49(44)51)36-18-16-32-26-31(14-15-34(32)28-36)33-17-19-37-29-39(21-20-35(37)27-33)40-24-25-47-42-9-4-3-8-41(42)46-12-7-11-45(40)50(46)47/h3-30,35,37,41-43,48H,1-2H3
• InChIKey: WDQYSHRKKGHZGG-UHFFFAOYSA-N
• XLogP: 12.92
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.88
LogP ≤ 5	12.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene?

The IUPAC name of 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene (CID 59582849) is 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene.

What is the SMILES notation for 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene?

The canonical SMILES for 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene is CC1(C)c2cc(-c3ccc4cc(C5=CC6C=CC(c7ccc8c9c(cccc79)C7C=CC=CC87)=CC6C=C5)ccc4c3)ccc2C2C=CC=CC21.

What is the InChIKey of 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene?

The InChIKey is WDQYSHRKKGHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40/c1-51(2)48-13-6-5-10-43(48)44-23-22-38(30-49(44)51)36-18-16-32-26-31(14-15-34(32)28-36)33-17-19-37-29-39(21-20-35(37)27-33)40-24-25-47-42-9-4-3-8-41(42)46-12-7-11-45(40)50(46)47/h3-30,35,37,41-43,48H,1-2H3.

What are the key properties of 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene?

3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene has a molecular weight of 652.88 g/mol, XLogP of 12.92, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[6-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)naphthalen-2-yl]-4a,8a-dihydronaphthalen-2-yl]-6b,10a-dihydrofluoranthene is sourced from PubChem (CID 59582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).