12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C166H105N9 — CID 158692677

About 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 158692677) has the molecular formula C166H105N9 and a molecular weight of 2225.73 g/mol. Its IUPAC name is 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• PubChem CID: 158692677
• Molecular Formula: C166H105N9
• Molecular Weight: 2225.73 g/mol
• Exact Mass: 2223.85
• IUPAC Name: 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6cc(-c7ccccc7)ccc6ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6cccc7ccccc67)cc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6ccccc6)cc54)cc3)c2)cc1
• InChI: InChI=1S/C58H37N3.C56H35N3.C52H33N3/c1-4-14-38(15-5-1)45-29-26-43-31-33-54-56(50(43)37-45)55-49-21-11-10-20-42(49)30-32-53(55)61(54)58-57(59-51-22-12-13-23-52(51)60-58)44-27-24-41(25-28-44)48-35-46(39-16-6-2-7-17-39)34-47(36-48)40-18-8-3-9-19-40;1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-42(32-30-39)55-56(58-50-24-11-10-23-49(50)57-55)59-51-34-33-41-16-5-7-19-44(41)53(51)54-47-21-9-8-20-46(47)48(35-52(54)59)45-22-12-17-40-15-4-6-18-43(40)45;1-3-14-34(15-4-1)39-19-13-20-40(32-39)35-26-28-38(29-27-35)51-52(54-46-25-12-11-24-45(46)53-51)55-47-31-30-37-18-7-8-21-41(37)49(47)50-43-23-10-9-22-42(43)44(33-48(50)55)36-16-5-2-6-17-36/h1-37H;1-35H;1-33H
• InChIKey: IGNYZOGYZSMQNL-UHFFFAOYSA-N
• XLogP: 43.92
• TPSA: 92.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2225.73
LogP ≤ 5	43.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The IUPAC name of 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 158692677) is 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

What is the SMILES notation for 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The canonical SMILES for 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6cc(-c7ccccc7)ccc6ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6cccc7ccccc67)cc54)cc3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc5ccccc5nc4-n4c5ccc6ccccc6c5c5c6ccccc6c(-c6ccccc6)cc54)cc3)c2)cc1.

What is the InChIKey of 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

The InChIKey is IGNYZOGYZSMQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3.C56H35N3.C52H33N3/c1-4-14-38(15-5-1)45-29-26-43-31-33-54-56(50(43)37-45)55-49-21-11-10-20-42(49)30-32-53(55)61(54)58-57(59-51-22-12-13-23-52(51)60-58)44-27-24-41(25-28-44)48-35-46(39-16-6-2-7-17-39)34-47(36-48)40-18-8-3-9-19-40;1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-29-31-42(32-30-39)55-56(58-50-24-11-10-23-49(50)57-55)59-51-34-33-41-16-5-7-19-44(41)53(51)54-47-21-9-8-20-46(47)48(35-52(54)59)45-22-12-17-40-15-4-6-18-43(40)45;1-3-14-34(15-4-1)39-19-13-20-40(32-39)35-26-28-38(29-27-35)51-52(54-46-25-12-11-24-45(46)53-51)55-47-31-30-37-18-7-8-21-41(37)49(47)50-43-23-10-9-22-42(43)44(33-48(50)55)36-16-5-2-6-17-36/h1-37H;1-35H;1-33H.

What are the key properties of 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?

12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 2225.73 g/mol, XLogP of 43.92, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-[4-(3,5-diphenylphenyl)phenyl]quinoxalin-2-yl]-5-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-naphthalen-1-yl-12-[3-[4-(4-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;9-phenyl-12-[3-[4-(3-phenylphenyl)phenyl]quinoxalin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 158692677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).