2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole

C196H128N8 — CID 160803337

About 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole

2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole (PubChem CID 160803337) has the molecular formula C196H128N8 and a molecular weight of 2595.24 g/mol. Its IUPAC name is 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole.

Molecular Properties

• Compound Name: 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole
• PubChem CID: 160803337
• Molecular Formula: C196H128N8
• Molecular Weight: 2595.24 g/mol
• Exact Mass: 2593.03
• IUPAC Name: 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole
• SMILES: CCCc1nc2ccccc2n1-c1cccc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)c1.CCc1nc2ccccc2n1-c1cccc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)c1.Cc1nc2ccccc2n1-c1cccc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)c1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4ccccc4cc3-5)c2)cc1
• InChI: InChI=1S/C52H32N2.C49H34N2.C48H32N2.C47H30N2/c1-2-13-33(14-3-1)51-53-49-23-10-11-24-50(49)54(51)40-18-12-17-34(28-40)37-25-26-38-30-44-43-29-35-15-4-5-16-36(35)31-47(43)52(48(44)32-39(38)27-37)45-21-8-6-19-41(45)42-20-7-9-22-46(42)52;1-2-12-48-50-46-21-9-10-22-47(46)51(48)37-16-11-15-31(26-37)34-23-24-35-28-41-40-27-32-13-3-4-14-33(32)29-44(40)49(45(41)30-36(35)25-34)42-19-7-5-17-38(42)39-18-6-8-20-43(39)49;1-2-47-49-45-20-9-10-21-46(45)50(47)36-15-11-14-30(25-36)33-22-23-34-27-40-39-26-31-12-3-4-13-32(31)28-43(39)48(44(40)29-35(34)24-33)41-18-7-5-16-37(41)38-17-6-8-19-42(38)48;1-29-48-45-19-8-9-20-46(45)49(29)36-14-10-13-30(24-36)33-21-22-34-26-40-39-25-31-11-2-3-12-32(31)27-43(39)47(44(40)28-35(34)23-33)41-17-6-4-15-37(41)38-16-5-7-18-42(38)47/h1-32H;3-11,13-30H,2,12H2,1H3;3-29H,2H2,1H3;2-28H,1H3
• InChIKey: SDJHHEBVYGFICN-UHFFFAOYSA-N
• XLogP: 48.86
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2595.24
LogP ≤ 5	48.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole?

The IUPAC name of 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole (CID 160803337) is 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole.

What is the SMILES notation for 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole?

The canonical SMILES for 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole is CCCc1nc2ccccc2n1-c1cccc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)c1.CCc1nc2ccccc2n1-c1cccc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)c1.Cc1nc2ccccc2n1-c1cccc(-c2ccc3cc4c(cc3c2)C2(c3ccccc3-c3ccccc32)c2cc3ccccc3cc2-4)c1.c1ccc(-c2nc3ccccc3n2-c2cccc(-c3ccc4cc5c(cc4c3)C3(c4ccccc4-c4ccccc43)c3cc4ccccc4cc3-5)c2)cc1.

What is the InChIKey of 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole?

The InChIKey is SDJHHEBVYGFICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2.C49H34N2.C48H32N2.C47H30N2/c1-2-13-33(14-3-1)51-53-49-23-10-11-24-50(49)54(51)40-18-12-17-34(28-40)37-25-26-38-30-44-43-29-35-15-4-5-16-36(35)31-47(43)52(48(44)32-39(38)27-37)45-21-8-6-19-41(45)42-20-7-9-22-46(42)52;1-2-12-48-50-46-21-9-10-22-47(46)51(48)37-16-11-15-31(26-37)34-23-24-35-28-41-40-27-32-13-3-4-14-33(32)29-44(40)49(45(41)30-36(35)25-34)42-19-7-5-17-38(42)39-18-6-8-20-43(39)49;1-2-47-49-45-20-9-10-21-46(45)50(47)36-15-11-14-30(25-36)33-22-23-34-27-40-39-26-31-12-3-4-13-32(31)28-43(39)48(44(40)29-35(34)24-33)41-18-7-5-16-37(41)38-17-6-8-19-42(38)48;1-29-48-45-19-8-9-20-46(45)49(29)36-14-10-13-30(24-36)33-21-22-34-26-40-39-25-31-11-2-3-12-32(31)27-43(39)47(44(40)28-35(34)23-33)41-17-6-4-15-37(41)38-16-5-7-18-42(38)47/h1-32H;3-11,13-30H,2,12H2,1H3;3-29H,2H2,1H3;2-28H,1H3.

What are the key properties of 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole?

2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole has a molecular weight of 2595.24 g/mol, XLogP of 48.86, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-methyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-phenyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole;2-propyl-1-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylphenyl)benzimidazole is sourced from PubChem (CID 160803337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).