8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline

C218H130N8 — CID 167559046

About 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline

8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline (PubChem CID 167559046) has the molecular formula C218H130N8 and a molecular weight of 2861.49 g/mol. Its IUPAC name is 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline.

Molecular Properties

• Compound Name: 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline
• PubChem CID: 167559046
• Molecular Formula: C218H130N8
• Molecular Weight: 2861.49 g/mol
• Exact Mass: 2859.04
• IUPAC Name: 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline
• SMILES: Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c1cc1c(c2-c2cccc3cccnc23)-c2cccc3cccc-1c23.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c(c3-c3cccc(-c4cccc5nccnc45)c3)-c3cccc4cccc-2c34)cc1.c1ccc2c(c1)-c1ccc(-c3ccncc3)cc1C21c2ccccc2-c2c1cc1c(c2-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)-c2cccc3cccc-1c23.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4c(cc5c3-c3ccccc3C53c5ccccc5-c5ccc(-c6ccc7ccccc7c6)cc53)-c3cccc5cccc-4c35)c2)c1
• InChI: InChI=1S/C61H36N2.C56H33N3.C55H32N2.C46H29N/c1-2-12-39-29-40(24-23-37(39)11-1)41-25-26-48-47-17-3-5-21-53(47)61(55(48)33-41)54-22-6-4-18-50(54)60-56(61)34-52-49-19-7-13-38-14-8-20-51(57(38)49)59(52)58(60)46-31-44(42-15-9-27-62-35-42)30-45(32-46)43-16-10-28-63-36-43;1-3-13-48-42(9-1)43-16-15-38(34-17-23-57-24-18-34)32-50(43)56(48)49-14-4-2-10-45(49)55-51(56)33-47-44-11-5-7-37-8-6-12-46(52(37)44)54(47)53(55)41-30-39(35-19-25-58-26-20-35)29-40(31-41)36-21-27-59-28-22-36;1-2-12-33(13-3-1)35-26-27-40-39-18-4-6-23-45(39)55(47(40)31-35)46-24-7-5-19-42(46)53-48(55)32-44-41-21-9-14-34-15-10-22-43(50(34)41)52(44)51(53)37-17-8-16-36(30-37)38-20-11-25-49-54(38)57-29-28-56-49;1-26-18-20-30-31-21-19-27(2)24-39(31)46(38(30)23-26)37-17-4-3-13-33(37)43-40(46)25-36-32-14-5-9-28-10-6-15-34(41(28)32)42(36)44(43)35-16-7-11-29-12-8-22-47-45(29)35/h1-36H;1-33H;1-32H;3-25H,1-2H3
• InChIKey: DKARBNHXMZBMOO-UHFFFAOYSA-N
• XLogP: 54.56
• TPSA: 103.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2861.49
LogP ≤ 5	54.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline?

The IUPAC name of 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline (CID 167559046) is 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline.

What is the SMILES notation for 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline?

The canonical SMILES for 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline is Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccccc2-c2c1cc1c(c2-c2cccc3cccnc23)-c2cccc3cccc-1c23.c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3c2cc2c(c3-c3cccc(-c4cccc5nccnc45)c3)-c3cccc4cccc-2c34)cc1.c1ccc2c(c1)-c1ccc(-c3ccncc3)cc1C21c2ccccc2-c2c1cc1c(c2-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)-c2cccc3cccc-1c23.c1cncc(-c2cc(-c3cccnc3)cc(-c3c4c(cc5c3-c3ccccc3C53c5ccccc5-c5ccc(-c6ccc7ccccc7c6)cc53)-c3cccc5cccc-4c35)c2)c1.

What is the InChIKey of 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline?

The InChIKey is DKARBNHXMZBMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N2.C56H33N3.C55H32N2.C46H29N/c1-2-12-39-29-40(24-23-37(39)11-1)41-25-26-48-47-17-3-5-21-53(47)61(55(48)33-41)54-22-6-4-18-50(54)60-56(61)34-52-49-19-7-13-38-14-8-20-51(57(38)49)59(52)58(60)46-31-44(42-15-9-27-62-35-42)30-45(32-46)43-16-10-28-63-36-43;1-3-13-48-42(9-1)43-16-15-38(34-17-23-57-24-18-34)32-50(43)56(48)49-14-4-2-10-45(49)55-51(56)33-47-44-11-5-7-37-8-6-12-46(52(37)44)54(47)53(55)41-30-39(35-19-25-58-26-20-35)29-40(31-41)36-21-27-59-28-22-36;1-2-12-33(13-3-1)35-26-27-40-39-18-4-6-23-45(39)55(47(40)31-35)46-24-7-5-19-42(46)53-48(55)32-44-41-21-9-14-34-15-10-22-43(50(34)41)52(44)51(53)37-17-8-16-36(30-37)38-20-11-25-49-54(38)57-29-28-56-49;1-26-18-20-30-31-21-19-27(2)24-39(31)46(38(30)23-26)37-17-4-3-13-33(37)43-40(46)25-36-32-14-5-9-28-10-6-15-34(41(28)32)42(36)44(43)35-16-7-11-29-12-8-22-47-45(29)35/h1-36H;1-33H;1-32H;3-25H,1-2H3.

What are the key properties of 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline?

8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline has a molecular weight of 2861.49 g/mol, XLogP of 54.56, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,7-dimethylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)quinoline;4-[3'-(3,5-dipyridin-4-ylphenyl)spiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-2-yl]pyridine;3-[3-(2-naphthalen-2-ylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-5-pyridin-3-ylphenyl]pyridine;5-[3-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)phenyl]quinoxaline is sourced from PubChem (CID 167559046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).