9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene

C153H94N12O3 — CID 165065797

About 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene (PubChem CID 165065797) has the molecular formula C153H94N12O3 and a molecular weight of 2148.52 g/mol. Its IUPAC name is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
• PubChem CID: 165065797
• Molecular Formula: C153H94N12O3
• Molecular Weight: 2148.52 g/mol
• Exact Mass: 2146.76
• IUPAC Name: 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(oc65)c(-c5cccc6ccccc56)nc5ccccc57)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c(oc54)c(-c4cccc5ccccc45)nc4ccccc46)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(oc54)c(-c4ccc5ccccc5c4)cc4ccccc46)cc3)n2)cc1
• InChI: InChI=1S/C55H34N4O.2C49H30N4O/c1-3-15-38(16-4-1)47-34-48(58-54(57-47)40-17-5-2-6-18-40)39-28-26-35(27-29-39)36-30-32-41(33-31-36)59-49-25-12-10-22-45(49)51-50-44-21-9-11-24-46(44)56-52(53(50)60-55(51)59)43-23-13-19-37-14-7-8-20-42(37)43;1-3-15-32(16-4-1)41-30-42(52-48(51-41)34-17-5-2-6-18-34)33-26-28-35(29-27-33)53-43-25-12-10-22-39(43)45-44-38-21-9-11-24-40(38)50-46(47(44)54-49(45)53)37-23-13-19-31-14-7-8-20-36(31)37;1-3-14-32(15-4-1)46-50-47(33-16-5-2-6-17-33)52-48(51-46)34-25-27-38(28-26-34)53-42-22-12-11-21-40(42)44-43-39-20-10-9-19-36(39)30-41(45(43)54-49(44)53)37-24-23-31-13-7-8-18-35(31)29-37/h1-34H;2*1-30H
• InChIKey: RYAQUXOICHLNFO-UHFFFAOYSA-N
• XLogP: 39.73
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.52
LogP ≤ 5	39.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

The IUPAC name of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene (CID 165065797) is 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene.

What is the SMILES notation for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

The canonical SMILES for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene is c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(oc65)c(-c5cccc6ccccc56)nc5ccccc57)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c(oc54)c(-c4cccc5ccccc45)nc4ccccc46)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(oc54)c(-c4ccc5ccccc5c4)cc4ccccc46)cc3)n2)cc1.

What is the InChIKey of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

The InChIKey is RYAQUXOICHLNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O.2C49H30N4O/c1-3-15-38(16-4-1)47-34-48(58-54(57-47)40-17-5-2-6-18-40)39-28-26-35(27-29-39)36-30-32-41(33-31-36)59-49-25-12-10-22-45(49)51-50-44-21-9-11-24-46(44)56-52(53(50)60-55(51)59)43-23-13-19-37-14-7-8-20-42(37)43;1-3-15-32(16-4-1)41-30-42(52-48(51-41)34-17-5-2-6-18-34)33-26-28-35(29-27-33)53-43-25-12-10-22-39(43)45-44-38-21-9-11-24-40(38)50-46(47(44)54-49(45)53)37-23-13-19-31-14-7-8-20-36(31)37;1-3-14-32(15-4-1)46-50-47(33-16-5-2-6-17-33)52-48(51-46)34-25-27-38(28-26-34)53-42-22-12-11-21-40(42)44-43-39-20-10-9-19-36(39)30-41(45(43)54-49(44)53)37-24-23-31-13-7-8-18-35(31)29-37/h1-34H;2*1-30H.

What are the key properties of 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene?

9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene has a molecular weight of 2148.52 g/mol, XLogP of 39.73, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-13-naphthalen-1-yl-11-oxa-9,14-diazapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-13-naphthalen-2-yl-11-oxa-9-azapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),2(10),3,5,7,13,15,17,19-nonaene is sourced from PubChem (CID 165065797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).