4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine

C154H91N7 — CID 157349168

About 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine

4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine (PubChem CID 157349168) has the molecular formula C154H91N7 and a molecular weight of 2039.47 g/mol. Its IUPAC name is 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine.

Molecular Properties

• Compound Name: 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine
• PubChem CID: 157349168
• Molecular Formula: C154H91N7
• Molecular Weight: 2039.47 g/mol
• Exact Mass: 2037.73
• IUPAC Name: 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)n2)cc1
• InChI: InChI=1S/C53H32N2.C51H30N2.C50H29N3/c1-3-15-33(16-4-1)50-32-51(34-17-5-2-6-18-34)55-52(54-50)35-27-28-48-44(29-35)40-23-11-13-25-46(40)53(48)47-26-14-12-24-41(47)45-30-42-38-21-9-7-19-36(38)37-20-8-10-22-39(37)43(42)31-49(45)53;1-3-14-31(15-4-1)46-30-47(32-16-5-2-6-17-32)53-50(52-46)33-26-27-44-40(28-33)36-20-9-11-24-42(36)51(44)43-25-12-10-21-38(43)49-39-23-13-22-37-34-18-7-8-19-35(34)41(48(37)39)29-45(49)51;1-3-15-30(16-4-1)47-51-48(31-17-5-2-6-18-31)53-49(52-47)38-25-14-28-42-46(38)36-22-10-12-27-41(36)50(42)40-26-11-9-21-35(40)45-37-24-13-23-34-32-19-7-8-20-33(32)39(44(34)37)29-43(45)50/h1-32H;1-30H;1-29H
• InChIKey: BHICRJRSJDFEGX-UHFFFAOYSA-N
• XLogP: 37.92
• TPSA: 90.23 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2039.47
LogP ≤ 5	37.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine?

The IUPAC name of 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine (CID 157349168) is 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine.

What is the SMILES notation for 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine?

The canonical SMILES for 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4c3cc3c5c(cccc45)-c4ccccc4-3)n2)cc1.

What is the InChIKey of 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine?

The InChIKey is BHICRJRSJDFEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2.C51H30N2.C50H29N3/c1-3-15-33(16-4-1)50-32-51(34-17-5-2-6-18-34)55-52(54-50)35-27-28-48-44(29-35)40-23-11-13-25-46(40)53(48)47-26-14-12-24-41(47)45-30-42-38-21-9-7-19-36(38)37-20-8-10-22-39(37)43(42)31-49(45)53;1-3-14-31(15-4-1)46-30-47(32-16-5-2-6-17-32)53-50(52-46)33-26-27-44-40(28-33)36-20-9-11-24-42(36)51(44)43-25-12-10-21-38(43)49-39-23-13-22-37-34-18-7-8-19-35(34)41(48(37)39)29-45(49)51;1-3-15-30(16-4-1)47-51-48(31-17-5-2-6-18-31)53-49(52-47)38-25-14-28-42-46(38)36-22-10-12-27-41(36)50(42)40-26-11-9-21-35(40)45-37-24-13-23-34-32-19-7-8-20-33(32)39(44(34)37)29-43(45)50/h1-32H;1-30H;1-29H.

What are the key properties of 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine?

4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine has a molecular weight of 2039.47 g/mol, XLogP of 37.92, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4,6-diphenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-3-ylpyrimidine;4,6-diphenyl-2-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-3-ylpyrimidine;2,4-diphenyl-6-spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]-4-yl-1,3,5-triazine is sourced from PubChem (CID 157349168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).