21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C55H36 — CID 143893943

About 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 143893943) has the molecular formula C55H36 and a molecular weight of 696.89 g/mol. Its IUPAC name is 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

• Compound Name: 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
• PubChem CID: 143893943
• Molecular Formula: C55H36
• Molecular Weight: 696.89 g/mol
• Exact Mass: 696.28
• IUPAC Name: 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
• SMILES: C=CC1=C(C=C)c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)c3cccc1c23
• InChI: InChI=1S/C55H36/c1-5-31-32(6-2)42-25-27-44(40-22-13-20-36(31)51(40)42)53-38-18-9-10-19-39(38)54(48-30-50-46(29-47(48)53)35-17-11-12-24-49(35)55(50,3)4)45-28-26-43-34-16-8-7-15-33(34)37-21-14-23-41(45)52(37)43/h5-30H,1-2H2,3-4H3
• InChIKey: ASYJSTFQCVOKLZ-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 0.00 Ų
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.89
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

The IUPAC name of 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 143893943) is 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

What is the SMILES notation for 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

The canonical SMILES for 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is C=CC1=C(C=C)c2ccc(-c3c4ccccc4c(-c4ccc5c6c(cccc46)-c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)c3cccc1c23.

What is the InChIKey of 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

The InChIKey is ASYJSTFQCVOKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36/c1-5-31-32(6-2)42-25-27-44(40-22-13-20-36(31)51(40)42)53-38-18-9-10-19-39(38)54(48-30-50-46(29-47(48)53)35-17-11-12-24-49(35)55(50,3)4)45-28-26-43-34-16-8-7-15-33(34)37-21-14-23-41(45)52(37)43/h5-30H,1-2H2,3-4H3.

What are the key properties of 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?

21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 696.89 g/mol, XLogP of 15.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 21-[1,2-bis(ethenyl)acenaphthylen-5-yl]-14-fluoranthen-3-yl-10,10-dimethylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 143893943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).