17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C59H38 — CID 58175330

About 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 58175330) has the molecular formula C59H38 and a molecular weight of 746.95 g/mol. Its IUPAC name is 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• PubChem CID: 58175330
• Molecular Formula: C59H38
• Molecular Weight: 746.95 g/mol
• Exact Mass: 746.30
• IUPAC Name: 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4c(-c4ccc5ccccc5c4)c3cc21
• InChI: InChI=1S/C59H38/c1-59(2)54-21-10-9-18-45(54)50-33-52-53(34-55(50)59)57(41-25-23-36-13-4-6-15-38(36)31-41)51-32-39(26-27-49(51)56(52)40-24-22-35-12-3-5-14-37(35)30-40)42-28-29-48-44-17-8-7-16-43(44)47-20-11-19-46(42)58(47)48/h3-34H,1-2H3
• InChIKey: GCANHYJBWYRTNL-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.95
LogP ≤ 5	16.41
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 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The IUPAC name of 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 58175330) is 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

What is the SMILES notation for 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The canonical SMILES for 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1(C)c2ccccc2-c2cc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccc6c7c(cccc57)-c5ccccc5-6)cc4c(-c4ccc5ccccc5c4)c3cc21.

What is the InChIKey of 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

The InChIKey is GCANHYJBWYRTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H38/c1-59(2)54-21-10-9-18-45(54)50-33-52-53(34-55(50)59)57(41-25-23-36-13-4-6-15-38(36)31-41)51-32-39(26-27-49(51)56(52)40-24-22-35-12-3-5-14-37(35)30-40)42-28-29-48-44-17-8-7-16-43(44)47-20-11-19-46(42)58(47)48/h3-34H,1-2H3.

What are the key properties of 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?

17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 746.95 g/mol, XLogP of 16.41, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 17-fluoranthen-3-yl-10,10-dimethyl-14,21-dinaphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 58175330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).