9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

C155H95N13 — CID 159785271

About 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene

9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene (PubChem CID 159785271) has the molecular formula C155H95N13 and a molecular weight of 2139.56 g/mol. Its IUPAC name is 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene.

Molecular Properties

• Compound Name: 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
• PubChem CID: 159785271
• Molecular Formula: C155H95N13
• Molecular Weight: 2139.56 g/mol
• Exact Mass: 2137.78
• IUPAC Name: 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc5c43)n2)cc1
• InChI: InChI=1S/2C52H32N4.C51H31N5/c1-4-18-33(19-5-1)42-32-43(34-20-6-2-7-21-34)54-52(53-42)56-45-31-17-15-29-41(45)49-47-37-25-11-10-24-36(37)46-40-28-14-16-30-44(40)55(35-22-8-3-9-23-35)51(46)48(47)38-26-12-13-27-39(38)50(49)56;1-4-18-33(19-5-1)42-32-45(54-52(53-42)34-20-6-2-7-21-34)56-44-31-17-15-29-41(44)49-47-37-25-11-10-24-36(37)46-40-28-14-16-30-43(40)55(35-22-8-3-9-23-35)51(46)48(47)38-26-12-13-27-39(38)50(49)56;1-4-18-32(19-5-1)49-52-50(33-20-6-2-7-21-33)54-51(53-49)56-42-31-17-15-29-40(42)46-44-36-25-11-10-24-35(36)43-39-28-14-16-30-41(39)55(34-22-8-3-9-23-34)48(43)45(44)37-26-12-13-27-38(37)47(46)56/h2*1-32H;1-31H
• InChIKey: NHWFRDGSCFUCOD-UHFFFAOYSA-N
• XLogP: 39.79
• TPSA: 119.81 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2139.56
LogP ≤ 5	39.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

The IUPAC name of 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene (CID 159785271) is 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene.

What is the SMILES notation for 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

The canonical SMILES for 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc5c43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5c6ccccc6c6c7ccccc7n(-c7ccccc7)c6c5c5ccccc5c43)n2)cc1.

What is the InChIKey of 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

The InChIKey is NHWFRDGSCFUCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N4.C51H31N5/c1-4-18-33(19-5-1)42-32-43(34-20-6-2-7-21-34)54-52(53-42)56-45-31-17-15-29-41(45)49-47-37-25-11-10-24-36(37)46-40-28-14-16-30-44(40)55(35-22-8-3-9-23-35)51(46)48(47)38-26-12-13-27-39(38)50(49)56;1-4-18-33(19-5-1)42-32-45(54-52(53-42)34-20-6-2-7-21-34)56-44-31-17-15-29-41(44)49-47-37-25-11-10-24-36(37)46-40-28-14-16-30-43(40)55(35-22-8-3-9-23-35)51(46)48(47)38-26-12-13-27-39(38)50(49)56;1-4-18-32(19-5-1)49-52-50(33-20-6-2-7-21-33)54-51(53-49)56-42-31-17-15-29-40(42)46-44-36-25-11-10-24-35(36)43-39-28-14-16-30-41(39)55(34-22-8-3-9-23-34)48(43)45(44)37-26-12-13-27-38(37)47(46)56/h2*1-32H;1-31H.

What are the key properties of 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene?

9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene has a molecular weight of 2139.56 g/mol, XLogP of 39.79, 12 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,6-diphenylpyrimidin-4-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenylpyrimidin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-19-phenyl-9,19-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,26.020,25.027,32]dotriaconta-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27,29,31-pentadecaene is sourced from PubChem (CID 159785271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).