9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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

C157H98N12O3 — CID 165087512

About 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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-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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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 (PubChem CID 165087512) has the molecular formula C157H98N12O3 and a molecular weight of 2200.59 g/mol. Its IUPAC name is 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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.

Molecular Properties

• Compound Name: 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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
• PubChem CID: 165087512
• Molecular Formula: C157H98N12O3
• Molecular Weight: 2200.59 g/mol
• Exact Mass: 2198.79
• IUPAC Name: 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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
• SMILES: c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5oc5c6c6ccccc6n5-c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(oc65)c(-c5ccc6ccccc6c5)cc5ccccc57)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5oc5c6c6ccccc6n5-c5ccccc5)cc4)cc3)n2)cc1
• InChI: InChI=1S/C56H35N3O.C51H32N4O.C50H31N5O/c1-3-14-39(15-4-1)49-35-50(58-55(57-49)41-16-5-2-6-17-41)40-26-23-37(24-27-40)38-29-31-45(32-30-38)59-51-22-12-11-21-47(51)53-52-46-20-10-9-19-43(46)34-48(54(52)60-56(53)59)44-28-25-36-13-7-8-18-42(36)33-44;1-4-14-35(15-5-1)43-32-44(54-50(53-43)38-16-6-2-7-17-38)36-28-24-33(25-29-36)34-26-30-37(31-27-34)48-49-46(40-20-10-12-22-42(40)52-48)47-41-21-11-13-23-45(41)55(51(47)56-49)39-18-8-3-9-19-39;1-4-14-35(15-5-1)47-52-48(36-16-6-2-7-17-36)54-49(53-47)37-30-26-33(27-31-37)32-24-28-34(29-25-32)45-46-43(39-20-10-12-22-41(39)51-45)44-40-21-11-13-23-42(40)55(50(44)56-46)38-18-8-3-9-19-38/h1-35H;1-32H;1-31H
• InChIKey: WDGVHPAKLJJRGL-UHFFFAOYSA-N
• XLogP: 40.76
• TPSA: 170.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2200.59
LogP ≤ 5	40.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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?

The IUPAC name of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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 (CID 165087512) is 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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.

What is the SMILES notation for 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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?

The canonical SMILES for 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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 is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5oc5c6c6ccccc6n5-c5ccccc5)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c(oc65)c(-c5ccc6ccccc6c5)cc5ccccc57)cc4)cc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccc6c6c5oc5c6c6ccccc6n5-c5ccccc5)cc4)cc3)n2)cc1.

What is the InChIKey of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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?

The InChIKey is WDGVHPAKLJJRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3O.C51H32N4O.C50H31N5O/c1-3-14-39(15-4-1)49-35-50(58-55(57-49)41-16-5-2-6-17-41)40-26-23-37(24-27-40)38-29-31-45(32-30-38)59-51-22-12-11-21-47(51)53-52-46-20-10-9-19-43(46)34-48(54(52)60-56(53)59)44-28-25-36-13-7-8-18-42(36)33-44;1-4-14-35(15-5-1)43-32-44(54-50(53-43)38-16-6-2-7-17-38)36-28-24-33(25-29-36)34-26-30-37(31-27-34)48-49-46(40-20-10-12-22-42(40)52-48)47-41-21-11-13-23-45(41)55(51(47)56-49)39-18-8-3-9-19-39;1-4-14-35(15-5-1)47-52-48(36-16-6-2-7-17-36)54-49(53-47)37-30-26-33(27-31-37)32-24-28-34(29-25-32)45-46-43(39-20-10-12-22-41(39)51-45)44-40-21-11-13-23-42(40)55(50(44)56-46)38-18-8-3-9-19-38/h1-35H;1-32H;1-31H.

What are the key properties of 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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-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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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 has a molecular weight of 2200.59 g/mol, XLogP of 40.76, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]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;13-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-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;13-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9-phenyl-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 is sourced from PubChem (CID 165087512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).