9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C100H64N8 — CID 159656743

About 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 159656743) has the molecular formula C100H64N8 and a molecular weight of 1377.67 g/mol. Its IUPAC name is 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 159656743
• Molecular Formula: C100H64N8
• Molecular Weight: 1377.67 g/mol
• Exact Mass: 1376.53
• IUPAC Name: 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2cc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cccc4c3)n2)cc1
• InChI: InChI=1S/2C50H32N4/c1-4-15-33(16-5-1)42-32-43(52-50(51-42)34-17-6-2-7-18-34)39-24-14-19-35-31-37(27-28-38(35)39)54-45-26-13-11-23-41(45)49-47(54)30-29-46-48(49)40-22-10-12-25-44(40)53(46)36-20-8-3-9-21-36;1-4-15-33(16-5-1)41-32-42(34-17-6-2-7-18-34)52-50(51-41)36-27-28-38-35(31-36)19-14-26-43(38)54-45-25-13-11-23-40(45)49-47(54)30-29-46-48(49)39-22-10-12-24-44(39)53(46)37-20-8-3-9-21-37/h2*1-32H
• InChIKey: MSGUFZRPBLVJLA-UHFFFAOYSA-N
• XLogP: 25.65
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.67
LogP ≤ 5	25.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 159656743) is 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2cc(-c3cccc4cc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)ccc34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)cccc4c3)n2)cc1.

What is the InChIKey of 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is MSGUFZRPBLVJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H32N4/c1-4-15-33(16-5-1)42-32-43(52-50(51-42)34-17-6-2-7-18-34)39-24-14-19-35-31-37(27-28-38(35)39)54-45-26-13-11-23-41(45)49-47(54)30-29-46-48(49)40-22-10-12-25-44(40)53(46)36-20-8-3-9-21-36;1-4-15-33(16-5-1)41-32-42(34-17-6-2-7-18-34)52-50(51-41)36-27-28-38-35(31-36)19-14-26-43(38)54-45-25-13-11-23-40(45)49-47(54)30-29-46-48(49)39-22-10-12-24-44(39)53(46)37-20-8-3-9-21-37/h2*1-32H.

What are the key properties of 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1377.67 g/mol, XLogP of 25.65, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(2,6-diphenylpyrimidin-4-yl)naphthalen-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[6-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 159656743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).