9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene

C68H42N6 — CID 118667464

About 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene

9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene (PubChem CID 118667464) has the molecular formula C68H42N6 and a molecular weight of 943.13 g/mol. Its IUPAC name is 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene.

Molecular Properties

• Compound Name: 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
• PubChem CID: 118667464
• Molecular Formula: C68H42N6
• Molecular Weight: 943.13 g/mol
• Exact Mass: 942.35
• IUPAC Name: 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7c54)c4ccccc4c4c6c5ccccc5n4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1
• InChI: InChI=1S/C68H42N6/c1-5-21-43(22-6-1)55-41-56(44-23-7-2-8-24-44)70-67(69-55)47-37-39-48(40-38-47)73-58-35-19-17-33-53(58)62-64-61(49-29-13-15-31-51(49)65(62)73)50-30-14-16-32-52(50)66-63(64)54-34-18-20-36-59(54)74(66)60-42-57(45-25-9-3-10-26-45)71-68(72-60)46-27-11-4-12-28-46/h1-42H
• InChIKey: FIZGZPABPNLKDE-UHFFFAOYSA-N
• XLogP: 17.26
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.13
LogP ≤ 5	17.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?

The IUPAC name of 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene (CID 118667464) is 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene.

What is the SMILES notation for 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?

The canonical SMILES for 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(c7ccccc7c54)c4ccccc4c4c6c5ccccc5n4-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc1.

What is the InChIKey of 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?

The InChIKey is FIZGZPABPNLKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N6/c1-5-21-43(22-6-1)55-41-56(44-23-7-2-8-24-44)70-67(69-55)47-37-39-48(40-38-47)73-58-35-19-17-33-53(58)62-64-61(49-29-13-15-31-51(49)65(62)73)50-30-14-16-32-52(50)66-63(64)54-34-18-20-36-59(54)74(66)60-42-57(45-25-9-3-10-26-45)71-68(72-60)46-27-11-4-12-28-46/h1-42H.

What are the key properties of 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene?

9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene has a molecular weight of 943.13 g/mol, XLogP of 17.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,6-diphenylpyrimidin-4-yl)-25-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,25-diazaoctacyclo[15.15.0.02,10.03,8.011,16.018,23.024,32.026,31]dotriaconta-1(17),2(10),3,5,7,11,13,15,18,20,22,24(32),26,28,30-pentadecaene is sourced from PubChem (CID 118667464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).