8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane

C64H40 — CID 143896980

About 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane

8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane (PubChem CID 143896980) has the molecular formula C64H40 and a molecular weight of 809.02 g/mol. Its IUPAC name is 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane.

Molecular Properties

• Compound Name: 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane
• PubChem CID: 143896980
• Molecular Formula: C64H40
• Molecular Weight: 809.02 g/mol
• Exact Mass: 808.31
• IUPAC Name: 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane
• SMILES: CC.c1ccc2c(c1)cc(-c1ccc3cc4c(cc3c1)c1cccc3c5cc6c7ccc(-c8cc9ccccc9c9ccccc89)cc7c7cccc(c5cc4c13)c76)c1ccccc12
• InChI: InChI=1S/C62H34.C2H6/c1-3-13-41-36(11-1)29-52(45-17-7-5-15-43(41)45)38-24-23-35-28-56-55(32-40(35)27-38)49-20-10-22-51-57-33-59-47-26-25-39(53-30-37-12-2-4-14-42(37)44-16-6-8-18-46(44)53)31-54(47)48-19-9-21-50(61(48)59)58(57)34-60(56)62(49)51;1-2/h1-34H;1-2H3
• InChIKey: OPBWUAMOAYGQSE-UHFFFAOYSA-N
• XLogP: 18.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.02
LogP ≤ 5	18.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane?

The IUPAC name of 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane (CID 143896980) is 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane.

What is the SMILES notation for 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane?

The canonical SMILES for 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane is CC.c1ccc2c(c1)cc(-c1ccc3cc4c(cc3c1)c1cccc3c5cc6c7ccc(-c8cc9ccccc9c9ccccc89)cc7c7cccc(c5cc4c13)c76)c1ccccc12.

What is the InChIKey of 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane?

The InChIKey is OPBWUAMOAYGQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H34.C2H6/c1-3-13-41-36(11-1)29-52(45-17-7-5-15-43(41)45)38-24-23-35-28-56-55(32-40(35)27-38)49-20-10-22-51-57-33-59-47-26-25-39(53-30-37-12-2-4-14-42(37)44-16-6-8-18-46(44)53)31-54(47)48-19-9-21-50(61(48)59)58(57)34-60(56)62(49)51;1-2/h1-34H;1-2H3.

What are the key properties of 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane?

8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane has a molecular weight of 809.02 g/mol, XLogP of 18.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 8,24-di(phenanthren-9-yl)nonacyclo[16.14.1.14,11.02,16.05,10.019,28.021,26.029,33.015,34]tetratriaconta-1(32),2(16),3,5(10),6,8,11(34),12,14,17,19(28),20,22,24,26,29(33),30-heptadecaene;ethane is sourced from PubChem (CID 143896980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).